USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -63:sc= 0.062! USER MOD Single : A 11 SER OG : rot 68:sc= 1.23 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.987 (180deg=-1.68!) USER MOD Single : A 22 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.38) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc=-0.00786 (180deg=-0.608) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.19! C(o=-2.2!,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.77) USER MOD Single : A 35 MET CE :methyl 145:sc= -0.365 (180deg=-2.38!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 45:sc= -0.0124 USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= -0.0582 (180deg=-0.437) USER MOD Single : A 44 ASN : amide:sc= -2.15! C(o=-2.2!,f=-9.3!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 57 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= 0.817 (180deg=0.597) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.443 X(o=-0.44,f=0.053) USER MOD Single : A 69 THR OG1 : rot -26:sc= 0.0384 USER MOD Single : A 71 MET CE :methyl -133:sc= -1.06 (180deg=-2.68!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.03! C(o=-3!,f=-12!) USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= -0.835 (180deg=-0.856) USER MOD Single : A 79 GLN : amide:sc= 0.203 K(o=0.2,f=-0.94) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -4.64! K(o=-4.6!,f=-0.94) USER MOD Single : A 90 SER OG : rot -180:sc= 0.62 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= -0.0497 USER MOD Single : A 95 ASN : amide:sc= -6.63! C(o=-6.6!,f=-7.8!) USER MOD Single : A 96 MET CE :methyl 146:sc= -1.97! (180deg=-3.29!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.105 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.498 32.985 -3.638 1.00 0.00 N ATOM 2 CA GLY A 1 -7.078 31.849 -4.329 1.00 0.00 C ATOM 3 C GLY A 1 -6.065 30.753 -4.596 1.00 0.00 C ATOM 4 O GLY A 1 -5.953 30.261 -5.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.231 33.706 -3.479 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.113 32.675 -2.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.734 33.390 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.897 31.445 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.505 32.183 -5.275 1.00 0.00 H new ATOM 8 N SER A 2 -5.323 30.371 -3.561 1.00 0.00 N ATOM 9 CA SER A 2 -4.310 29.330 -3.690 1.00 0.00 C ATOM 10 C SER A 2 -4.845 27.988 -3.200 1.00 0.00 C ATOM 11 O SER A 2 -5.979 27.892 -2.732 1.00 0.00 O ATOM 12 CB SER A 2 -3.055 29.710 -2.901 1.00 0.00 C ATOM 13 OG SER A 2 -2.251 30.621 -3.631 1.00 0.00 O ATOM 0 H SER A 2 -5.404 30.767 -2.624 1.00 0.00 H new ATOM 0 HA SER A 2 -4.053 29.236 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.341 30.155 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.479 28.813 -2.673 1.00 0.00 H new ATOM 0 HG SER A 2 -1.456 30.850 -3.105 1.00 0.00 H new ATOM 19 N SER A 3 -4.019 26.952 -3.312 1.00 0.00 N ATOM 20 CA SER A 3 -4.409 25.614 -2.885 1.00 0.00 C ATOM 21 C SER A 3 -4.701 25.585 -1.388 1.00 0.00 C ATOM 22 O SER A 3 -3.916 26.081 -0.581 1.00 0.00 O ATOM 23 CB SER A 3 -3.306 24.607 -3.221 1.00 0.00 C ATOM 24 OG SER A 3 -3.283 24.321 -4.608 1.00 0.00 O ATOM 0 H SER A 3 -3.076 27.014 -3.695 1.00 0.00 H new ATOM 0 HA SER A 3 -5.318 25.339 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.339 25.005 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.466 23.687 -2.659 1.00 0.00 H new ATOM 0 HG SER A 3 -2.569 23.677 -4.797 1.00 0.00 H new ATOM 30 N GLY A 4 -5.837 24.998 -1.024 1.00 0.00 N ATOM 31 CA GLY A 4 -6.215 24.915 0.375 1.00 0.00 C ATOM 32 C GLY A 4 -5.824 23.592 1.002 1.00 0.00 C ATOM 33 O GLY A 4 -5.762 22.568 0.322 1.00 0.00 O ATOM 0 H GLY A 4 -6.503 24.578 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.742 25.728 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.292 25.053 0.466 1.00 0.00 H new ATOM 37 N SER A 5 -5.558 23.612 2.305 1.00 0.00 N ATOM 38 CA SER A 5 -5.165 22.406 3.023 1.00 0.00 C ATOM 39 C SER A 5 -6.386 21.557 3.368 1.00 0.00 C ATOM 40 O SER A 5 -7.469 22.084 3.623 1.00 0.00 O ATOM 41 CB SER A 5 -4.407 22.772 4.301 1.00 0.00 C ATOM 42 OG SER A 5 -3.023 22.937 4.043 1.00 0.00 O ATOM 0 H SER A 5 -5.608 24.450 2.884 1.00 0.00 H new ATOM 0 HA SER A 5 -4.510 21.824 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.815 23.693 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.550 21.992 5.049 1.00 0.00 H new ATOM 0 HG SER A 5 -2.561 23.172 4.875 1.00 0.00 H new ATOM 48 N SER A 6 -6.201 20.241 3.374 1.00 0.00 N ATOM 49 CA SER A 6 -7.287 19.318 3.683 1.00 0.00 C ATOM 50 C SER A 6 -8.125 19.837 4.848 1.00 0.00 C ATOM 51 O SER A 6 -7.671 20.670 5.632 1.00 0.00 O ATOM 52 CB SER A 6 -6.728 17.934 4.019 1.00 0.00 C ATOM 53 OG SER A 6 -7.735 16.941 3.922 1.00 0.00 O ATOM 0 H SER A 6 -5.310 19.790 3.168 1.00 0.00 H new ATOM 0 HA SER A 6 -7.927 19.240 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.909 17.694 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.315 17.940 5.028 1.00 0.00 H new ATOM 0 HG SER A 6 -7.353 16.065 4.140 1.00 0.00 H new ATOM 59 N GLY A 7 -9.352 19.337 4.955 1.00 0.00 N ATOM 60 CA GLY A 7 -10.235 19.760 6.026 1.00 0.00 C ATOM 61 C GLY A 7 -9.785 19.255 7.382 1.00 0.00 C ATOM 62 O GLY A 7 -8.877 19.820 7.994 1.00 0.00 O ATOM 0 H GLY A 7 -9.750 18.646 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.283 20.849 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.244 19.400 5.824 1.00 0.00 H new ATOM 66 N THR A 8 -10.422 18.189 7.857 1.00 0.00 N ATOM 67 CA THR A 8 -10.084 17.610 9.150 1.00 0.00 C ATOM 68 C THR A 8 -10.798 16.279 9.361 1.00 0.00 C ATOM 69 O THR A 8 -11.868 16.044 8.801 1.00 0.00 O ATOM 70 CB THR A 8 -10.448 18.563 10.305 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.463 19.916 9.837 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.457 18.428 11.451 1.00 0.00 C ATOM 0 H THR A 8 -11.175 17.709 7.364 1.00 0.00 H new ATOM 0 HA THR A 8 -9.007 17.445 9.150 1.00 0.00 H new ATOM 0 HB THR A 8 -11.439 18.294 10.670 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.566 20.166 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.735 19.110 12.254 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.470 17.404 11.824 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.456 18.673 11.097 1.00 0.00 H new ATOM 80 N GLU A 9 -10.198 15.413 10.171 1.00 0.00 N ATOM 81 CA GLU A 9 -10.778 14.105 10.454 1.00 0.00 C ATOM 82 C GLU A 9 -12.237 14.238 10.880 1.00 0.00 C ATOM 83 O GLU A 9 -13.098 13.484 10.427 1.00 0.00 O ATOM 84 CB GLU A 9 -9.978 13.394 11.547 1.00 0.00 C ATOM 85 CG GLU A 9 -10.058 11.878 11.471 1.00 0.00 C ATOM 86 CD GLU A 9 -11.253 11.319 12.218 1.00 0.00 C ATOM 87 OE1 GLU A 9 -12.342 11.924 12.134 1.00 0.00 O ATOM 88 OE2 GLU A 9 -11.099 10.275 12.886 1.00 0.00 O ATOM 0 H GLU A 9 -9.312 15.593 10.642 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.737 13.512 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.934 13.698 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.341 13.720 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.112 11.573 10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.144 11.449 11.882 1.00 0.00 H new ATOM 95 N ASP A 10 -12.506 15.200 11.756 1.00 0.00 N ATOM 96 CA ASP A 10 -13.860 15.433 12.244 1.00 0.00 C ATOM 97 C ASP A 10 -14.820 15.682 11.085 1.00 0.00 C ATOM 98 O ASP A 10 -15.907 15.106 11.033 1.00 0.00 O ATOM 99 CB ASP A 10 -13.881 16.623 13.204 1.00 0.00 C ATOM 100 CG ASP A 10 -15.253 17.259 13.309 1.00 0.00 C ATOM 101 OD1 ASP A 10 -15.644 17.983 12.370 1.00 0.00 O ATOM 102 OD2 ASP A 10 -15.936 17.033 14.330 1.00 0.00 O ATOM 0 H ASP A 10 -11.804 15.831 12.143 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.186 14.540 12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.560 16.294 14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.162 17.370 12.867 1.00 0.00 H new ATOM 107 N SER A 11 -14.412 16.543 10.159 1.00 0.00 N ATOM 108 CA SER A 11 -15.238 16.871 9.003 1.00 0.00 C ATOM 109 C SER A 11 -14.494 16.582 7.703 1.00 0.00 C ATOM 110 O SER A 11 -14.062 17.500 7.004 1.00 0.00 O ATOM 111 CB SER A 11 -15.654 18.343 9.049 1.00 0.00 C ATOM 112 OG SER A 11 -16.743 18.537 9.935 1.00 0.00 O ATOM 0 H SER A 11 -13.514 17.026 10.187 1.00 0.00 H new ATOM 0 HA SER A 11 -16.131 16.246 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.809 18.953 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.930 18.678 8.049 1.00 0.00 H new ATOM 0 HG SER A 11 -16.449 18.375 10.856 1.00 0.00 H new ATOM 118 N LEU A 12 -14.347 15.301 7.386 1.00 0.00 N ATOM 119 CA LEU A 12 -13.655 14.888 6.170 1.00 0.00 C ATOM 120 C LEU A 12 -14.584 14.961 4.963 1.00 0.00 C ATOM 121 O LEU A 12 -15.792 15.148 5.108 1.00 0.00 O ATOM 122 CB LEU A 12 -13.112 13.466 6.326 1.00 0.00 C ATOM 123 CG LEU A 12 -11.915 13.303 7.262 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.837 11.878 7.787 1.00 0.00 C ATOM 125 CD2 LEU A 12 -10.625 13.682 6.549 1.00 0.00 C ATOM 0 H LEU A 12 -14.698 14.530 7.954 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.822 15.572 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.919 12.828 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.830 13.096 5.340 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.048 13.974 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.978 11.782 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.749 11.642 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.728 11.188 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.783 13.560 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.486 13.037 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.681 14.721 6.224 1.00 0.00 H new ATOM 137 N MET A 13 -14.013 14.809 3.772 1.00 0.00 N ATOM 138 CA MET A 13 -14.791 14.854 2.540 1.00 0.00 C ATOM 139 C MET A 13 -15.251 13.457 2.136 1.00 0.00 C ATOM 140 O MET A 13 -14.724 12.446 2.600 1.00 0.00 O ATOM 141 CB MET A 13 -13.967 15.479 1.413 1.00 0.00 C ATOM 142 CG MET A 13 -14.154 16.982 1.284 1.00 0.00 C ATOM 143 SD MET A 13 -12.694 17.809 0.624 1.00 0.00 S ATOM 144 CE MET A 13 -13.164 18.005 -1.094 1.00 0.00 C ATOM 0 H MET A 13 -13.014 14.654 3.635 1.00 0.00 H new ATOM 0 HA MET A 13 -15.673 15.470 2.719 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.912 15.266 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.239 15.005 0.470 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.006 17.184 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.393 17.400 2.262 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.570 18.800 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.987 17.072 -1.628 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.221 18.263 -1.155 1.00 0.00 H new ATOM 154 N PRO A 14 -16.257 13.397 1.251 1.00 0.00 N ATOM 155 CA PRO A 14 -16.808 12.129 0.765 1.00 0.00 C ATOM 156 C PRO A 14 -15.835 11.383 -0.142 1.00 0.00 C ATOM 157 O PRO A 14 -14.673 11.765 -0.267 1.00 0.00 O ATOM 158 CB PRO A 14 -18.049 12.560 -0.022 1.00 0.00 C ATOM 159 CG PRO A 14 -17.762 13.959 -0.444 1.00 0.00 C ATOM 160 CD PRO A 14 -16.932 14.562 0.655 1.00 0.00 C ATOM 0 HA PRO A 14 -17.022 11.439 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.216 11.913 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.946 12.509 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.226 13.978 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.685 14.520 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.216 15.286 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.550 15.085 1.385 1.00 0.00 H new ATOM 168 N GLU A 15 -16.319 10.317 -0.773 1.00 0.00 N ATOM 169 CA GLU A 15 -15.491 9.518 -1.668 1.00 0.00 C ATOM 170 C GLU A 15 -15.698 9.937 -3.120 1.00 0.00 C ATOM 171 O GLU A 15 -14.741 10.054 -3.885 1.00 0.00 O ATOM 172 CB GLU A 15 -15.812 8.031 -1.504 1.00 0.00 C ATOM 173 CG GLU A 15 -14.750 7.112 -2.084 1.00 0.00 C ATOM 174 CD GLU A 15 -15.174 5.656 -2.082 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.885 5.244 -3.022 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.795 4.929 -1.140 1.00 0.00 O ATOM 0 H GLU A 15 -17.280 9.987 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.447 9.688 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.933 7.809 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.767 7.819 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.527 7.420 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.829 7.219 -1.510 1.00 0.00 H new ATOM 183 N GLU A 16 -16.954 10.162 -3.492 1.00 0.00 N ATOM 184 CA GLU A 16 -17.287 10.566 -4.853 1.00 0.00 C ATOM 185 C GLU A 16 -16.656 11.914 -5.189 1.00 0.00 C ATOM 186 O GLU A 16 -16.107 12.100 -6.274 1.00 0.00 O ATOM 187 CB GLU A 16 -18.805 10.644 -5.029 1.00 0.00 C ATOM 188 CG GLU A 16 -19.489 11.552 -4.021 1.00 0.00 C ATOM 189 CD GLU A 16 -20.957 11.770 -4.334 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.778 10.908 -3.955 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.285 12.800 -4.959 1.00 0.00 O ATOM 0 H GLU A 16 -17.758 10.071 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.887 9.816 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.028 10.999 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.224 9.641 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.394 11.119 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.979 12.515 -4.000 1.00 0.00 H new ATOM 198 N GLU A 17 -16.739 12.851 -4.250 1.00 0.00 N ATOM 199 CA GLU A 17 -16.178 14.182 -4.447 1.00 0.00 C ATOM 200 C GLU A 17 -14.653 14.144 -4.385 1.00 0.00 C ATOM 201 O GLU A 17 -13.972 14.624 -5.291 1.00 0.00 O ATOM 202 CB GLU A 17 -16.718 15.150 -3.392 1.00 0.00 C ATOM 203 CG GLU A 17 -16.799 16.590 -3.871 1.00 0.00 C ATOM 204 CD GLU A 17 -17.217 17.547 -2.772 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.281 17.318 -2.160 1.00 0.00 O ATOM 206 OE2 GLU A 17 -16.482 18.526 -2.526 1.00 0.00 O ATOM 0 H GLU A 17 -17.189 12.713 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.476 14.531 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.711 14.822 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.080 15.105 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.828 16.894 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.510 16.656 -4.695 1.00 0.00 H new ATOM 213 N PHE A 18 -14.125 13.571 -3.309 1.00 0.00 N ATOM 214 CA PHE A 18 -12.682 13.471 -3.127 1.00 0.00 C ATOM 215 C PHE A 18 -11.980 13.234 -4.461 1.00 0.00 C ATOM 216 O PHE A 18 -11.173 14.052 -4.905 1.00 0.00 O ATOM 217 CB PHE A 18 -12.346 12.339 -2.154 1.00 0.00 C ATOM 218 CG PHE A 18 -10.872 12.156 -1.933 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.082 13.218 -1.525 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.276 10.921 -2.132 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.725 13.053 -1.321 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.920 10.749 -1.930 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.143 11.816 -1.523 1.00 0.00 C ATOM 0 H PHE A 18 -14.675 13.169 -2.550 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.328 14.415 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.827 12.539 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.767 11.408 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.532 14.187 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.879 10.083 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.120 13.890 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.468 9.781 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.083 11.684 -1.363 1.00 0.00 H new ATOM 233 N LEU A 19 -12.293 12.110 -5.096 1.00 0.00 N ATOM 234 CA LEU A 19 -11.693 11.764 -6.380 1.00 0.00 C ATOM 235 C LEU A 19 -11.690 12.964 -7.321 1.00 0.00 C ATOM 236 O LEU A 19 -10.732 13.182 -8.063 1.00 0.00 O ATOM 237 CB LEU A 19 -12.450 10.600 -7.022 1.00 0.00 C ATOM 238 CG LEU A 19 -12.575 9.332 -6.175 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.418 8.291 -6.895 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.199 8.772 -5.847 1.00 0.00 C ATOM 0 H LEU A 19 -12.959 11.423 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.661 11.464 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.453 10.942 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.953 10.341 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.073 9.590 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.496 7.396 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.414 8.693 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.949 8.037 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.307 7.870 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.675 8.529 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.627 9.514 -5.290 1.00 0.00 H new ATOM 252 N ARG A 20 -12.768 13.741 -7.284 1.00 0.00 N ATOM 253 CA ARG A 20 -12.889 14.920 -8.133 1.00 0.00 C ATOM 254 C ARG A 20 -11.790 15.930 -7.820 1.00 0.00 C ATOM 255 O ARG A 20 -11.304 16.629 -8.710 1.00 0.00 O ATOM 256 CB ARG A 20 -14.262 15.570 -7.946 1.00 0.00 C ATOM 257 CG ARG A 20 -15.420 14.592 -8.061 1.00 0.00 C ATOM 258 CD ARG A 20 -15.881 14.442 -9.502 1.00 0.00 C ATOM 259 NE ARG A 20 -16.546 13.163 -9.734 1.00 0.00 N ATOM 260 CZ ARG A 20 -16.628 12.583 -10.926 1.00 0.00 C ATOM 261 NH1 ARG A 20 -16.091 13.165 -11.989 1.00 0.00 N ATOM 262 NH2 ARG A 20 -17.250 11.418 -11.057 1.00 0.00 N ATOM 0 H ARG A 20 -13.570 13.575 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.782 14.603 -9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.298 16.049 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.387 16.357 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.117 13.620 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.251 14.937 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.563 15.255 -9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.023 14.530 -10.168 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.971 12.689 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.613 14.061 -11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.156 12.717 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.666 10.967 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.312 10.973 -11.973 1.00 0.00 H new ATOM 276 N ARG A 21 -11.402 16.002 -6.551 1.00 0.00 N ATOM 277 CA ARG A 21 -10.361 16.928 -6.121 1.00 0.00 C ATOM 278 C ARG A 21 -8.979 16.299 -6.271 1.00 0.00 C ATOM 279 O ARG A 21 -8.151 16.775 -7.047 1.00 0.00 O ATOM 280 CB ARG A 21 -10.588 17.344 -4.667 1.00 0.00 C ATOM 281 CG ARG A 21 -11.779 18.269 -4.477 1.00 0.00 C ATOM 282 CD ARG A 21 -11.373 19.730 -4.588 1.00 0.00 C ATOM 283 NE ARG A 21 -11.376 20.196 -5.972 1.00 0.00 N ATOM 284 CZ ARG A 21 -11.504 21.472 -6.318 1.00 0.00 C ATOM 285 NH1 ARG A 21 -11.639 22.405 -5.385 1.00 0.00 N ATOM 286 NH2 ARG A 21 -11.497 21.818 -7.599 1.00 0.00 N ATOM 0 H ARG A 21 -11.793 15.430 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.410 17.812 -6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.733 16.450 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.691 17.839 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.539 18.044 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.229 18.089 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.056 20.342 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.378 19.863 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.274 19.503 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.645 22.143 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.737 23.384 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.393 21.104 -8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.595 22.798 -7.863 1.00 0.00 H new ATOM 300 N ASN A 22 -8.737 15.228 -5.523 1.00 0.00 N ATOM 301 CA ASN A 22 -7.454 14.535 -5.572 1.00 0.00 C ATOM 302 C ASN A 22 -7.510 13.356 -6.539 1.00 0.00 C ATOM 303 O ASN A 22 -7.835 12.234 -6.151 1.00 0.00 O ATOM 304 CB ASN A 22 -7.062 14.046 -4.177 1.00 0.00 C ATOM 305 CG ASN A 22 -6.946 15.181 -3.178 1.00 0.00 C ATOM 306 OD1 ASN A 22 -5.844 15.619 -2.844 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.085 15.663 -2.695 1.00 0.00 N ATOM 0 H ASN A 22 -9.412 14.821 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.702 15.239 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.804 13.330 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.110 13.517 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.070 16.427 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.975 15.270 -3.000 1.00 0.00 H new ATOM 314 N LYS A 23 -7.189 13.619 -7.802 1.00 0.00 N ATOM 315 CA LYS A 23 -7.200 12.581 -8.826 1.00 0.00 C ATOM 316 C LYS A 23 -5.948 11.714 -8.735 1.00 0.00 C ATOM 317 O LYS A 23 -6.011 10.497 -8.905 1.00 0.00 O ATOM 318 CB LYS A 23 -7.297 13.210 -10.218 1.00 0.00 C ATOM 319 CG LYS A 23 -6.144 14.143 -10.546 1.00 0.00 C ATOM 320 CD LYS A 23 -6.567 15.232 -11.516 1.00 0.00 C ATOM 321 CE LYS A 23 -6.372 14.798 -12.961 1.00 0.00 C ATOM 322 NZ LYS A 23 -7.401 13.809 -13.386 1.00 0.00 N ATOM 0 H LYS A 23 -6.918 14.542 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.072 11.949 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.335 12.416 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.233 13.763 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.770 14.597 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.322 13.570 -10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.614 15.483 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.988 16.136 -11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.417 15.671 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.380 14.363 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.493 13.827 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.115 12.857 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.315 14.051 -12.953 1.00 0.00 H new ATOM 336 N GLY A 24 -4.812 12.349 -8.464 1.00 0.00 N ATOM 337 CA GLY A 24 -3.563 11.619 -8.353 1.00 0.00 C ATOM 338 C GLY A 24 -2.752 11.659 -9.634 1.00 0.00 C ATOM 339 O GLY A 24 -3.137 12.291 -10.617 1.00 0.00 O ATOM 0 H GLY A 24 -4.734 13.356 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.972 12.038 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.774 10.582 -8.092 1.00 0.00 H new ATOM 343 N PRO A 25 -1.600 10.973 -9.631 1.00 0.00 N ATOM 344 CA PRO A 25 -1.131 10.218 -8.466 1.00 0.00 C ATOM 345 C PRO A 25 -0.705 11.127 -7.318 1.00 0.00 C ATOM 346 O PRO A 25 -0.553 12.336 -7.494 1.00 0.00 O ATOM 347 CB PRO A 25 0.072 9.442 -9.007 1.00 0.00 C ATOM 348 CG PRO A 25 0.557 10.250 -10.160 1.00 0.00 C ATOM 349 CD PRO A 25 -0.665 10.883 -10.766 1.00 0.00 C ATOM 0 HA PRO A 25 -1.914 9.583 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.846 9.332 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.213 8.437 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.268 11.009 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.072 9.622 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.444 11.865 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.072 10.277 -11.575 1.00 0.00 H new ATOM 357 N VAL A 26 -0.515 10.538 -6.142 1.00 0.00 N ATOM 358 CA VAL A 26 -0.105 11.296 -4.965 1.00 0.00 C ATOM 359 C VAL A 26 1.240 10.808 -4.439 1.00 0.00 C ATOM 360 O VAL A 26 1.429 9.616 -4.198 1.00 0.00 O ATOM 361 CB VAL A 26 -1.152 11.194 -3.840 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.474 11.801 -4.284 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.337 9.746 -3.414 1.00 0.00 C ATOM 0 H VAL A 26 -0.638 9.539 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.015 12.337 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.792 11.758 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.201 11.720 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.326 12.851 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.843 11.267 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.080 9.693 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.675 9.156 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.389 9.349 -3.052 1.00 0.00 H new ATOM 373 N SER A 27 2.172 11.739 -4.261 1.00 0.00 N ATOM 374 CA SER A 27 3.502 11.404 -3.765 1.00 0.00 C ATOM 375 C SER A 27 3.477 11.167 -2.258 1.00 0.00 C ATOM 376 O SER A 27 3.389 12.111 -1.472 1.00 0.00 O ATOM 377 CB SER A 27 4.491 12.522 -4.101 1.00 0.00 C ATOM 378 OG SER A 27 4.683 12.630 -5.501 1.00 0.00 O ATOM 0 H SER A 27 2.031 12.731 -4.453 1.00 0.00 H new ATOM 0 HA SER A 27 3.824 10.485 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.122 13.469 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.446 12.325 -3.614 1.00 0.00 H new ATOM 0 HG SER A 27 5.318 13.352 -5.689 1.00 0.00 H new ATOM 384 N ILE A 28 3.554 9.900 -1.864 1.00 0.00 N ATOM 385 CA ILE A 28 3.541 9.539 -0.452 1.00 0.00 C ATOM 386 C ILE A 28 4.912 9.053 0.004 1.00 0.00 C ATOM 387 O ILE A 28 5.553 8.246 -0.670 1.00 0.00 O ATOM 388 CB ILE A 28 2.498 8.444 -0.161 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.912 7.126 -0.819 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.124 8.877 -0.649 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.721 6.226 0.087 1.00 0.00 C ATOM 0 H ILE A 28 3.626 9.107 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 28 3.275 10.440 0.101 1.00 0.00 H new ATOM 0 HB ILE A 28 2.447 8.290 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.017 6.594 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.494 7.344 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.398 8.092 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.828 9.793 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.159 9.056 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.979 5.311 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.634 6.740 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.134 5.978 0.972 1.00 0.00 H new ATOM 403 N LYS A 29 5.357 9.548 1.154 1.00 0.00 N ATOM 404 CA LYS A 29 6.652 9.163 1.703 1.00 0.00 C ATOM 405 C LYS A 29 6.485 8.144 2.826 1.00 0.00 C ATOM 406 O LYS A 29 5.796 8.400 3.813 1.00 0.00 O ATOM 407 CB LYS A 29 7.394 10.396 2.225 1.00 0.00 C ATOM 408 CG LYS A 29 8.904 10.234 2.243 1.00 0.00 C ATOM 409 CD LYS A 29 9.553 11.166 3.252 1.00 0.00 C ATOM 410 CE LYS A 29 9.613 12.595 2.733 1.00 0.00 C ATOM 411 NZ LYS A 29 9.947 13.564 3.813 1.00 0.00 N ATOM 0 H LYS A 29 4.840 10.217 1.724 1.00 0.00 H new ATOM 0 HA LYS A 29 7.236 8.705 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.136 11.254 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.049 10.617 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.157 9.202 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.304 10.436 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.992 11.140 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.561 10.817 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.359 12.663 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.653 12.861 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.978 14.526 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.222 13.518 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.875 13.326 4.218 1.00 0.00 H new ATOM 425 N VAL A 30 7.122 6.988 2.668 1.00 0.00 N ATOM 426 CA VAL A 30 7.046 5.931 3.670 1.00 0.00 C ATOM 427 C VAL A 30 8.235 5.989 4.622 1.00 0.00 C ATOM 428 O VAL A 30 9.358 5.653 4.248 1.00 0.00 O ATOM 429 CB VAL A 30 6.996 4.538 3.013 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.056 3.447 4.071 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.745 4.397 2.159 1.00 0.00 C ATOM 0 H VAL A 30 7.696 6.760 1.856 1.00 0.00 H new ATOM 0 HA VAL A 30 6.126 6.093 4.232 1.00 0.00 H new ATOM 0 HB VAL A 30 7.865 4.429 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.020 2.470 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.984 3.539 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.208 3.549 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.726 3.407 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.861 4.526 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.750 5.157 1.378 1.00 0.00 H new ATOM 441 N GLN A 31 7.979 6.418 5.854 1.00 0.00 N ATOM 442 CA GLN A 31 9.029 6.521 6.860 1.00 0.00 C ATOM 443 C GLN A 31 9.466 5.139 7.334 1.00 0.00 C ATOM 444 O GLN A 31 8.748 4.471 8.079 1.00 0.00 O ATOM 445 CB GLN A 31 8.546 7.352 8.049 1.00 0.00 C ATOM 446 CG GLN A 31 9.675 7.961 8.865 1.00 0.00 C ATOM 447 CD GLN A 31 10.798 6.979 9.131 1.00 0.00 C ATOM 448 OE1 GLN A 31 11.884 7.091 8.561 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.543 6.009 10.002 1.00 0.00 N ATOM 0 H GLN A 31 7.054 6.700 6.179 1.00 0.00 H new ATOM 0 HA GLN A 31 9.886 7.017 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.900 8.151 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.938 6.722 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.073 8.828 8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.279 8.320 9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.629 5.954 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.261 5.319 10.222 1.00 0.00 H new ATOM 458 N VAL A 32 10.648 4.714 6.897 1.00 0.00 N ATOM 459 CA VAL A 32 11.180 3.412 7.278 1.00 0.00 C ATOM 460 C VAL A 32 12.077 3.522 8.505 1.00 0.00 C ATOM 461 O VAL A 32 13.187 4.053 8.449 1.00 0.00 O ATOM 462 CB VAL A 32 11.981 2.775 6.126 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.476 1.391 6.521 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.136 2.708 4.863 1.00 0.00 C ATOM 0 H VAL A 32 11.255 5.253 6.279 1.00 0.00 H new ATOM 0 HA VAL A 32 10.326 2.777 7.512 1.00 0.00 H new ATOM 0 HB VAL A 32 12.850 3.400 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.039 0.957 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.120 1.471 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.624 0.753 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.717 2.255 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.247 2.106 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.837 3.715 4.572 1.00 0.00 H new ATOM 474 N PRO A 33 11.588 3.009 9.644 1.00 0.00 N ATOM 475 CA PRO A 33 12.329 3.037 10.908 1.00 0.00 C ATOM 476 C PRO A 33 13.536 2.105 10.893 1.00 0.00 C ATOM 477 O PRO A 33 13.527 1.073 10.224 1.00 0.00 O ATOM 478 CB PRO A 33 11.299 2.560 11.934 1.00 0.00 C ATOM 479 CG PRO A 33 10.336 1.736 11.150 1.00 0.00 C ATOM 480 CD PRO A 33 10.272 2.362 9.784 1.00 0.00 C ATOM 0 HA PRO A 33 12.736 4.026 11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.769 1.975 12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.800 3.402 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.668 0.700 11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.354 1.729 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.106 1.616 9.007 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.459 3.084 9.711 1.00 0.00 H new ATOM 488 N ASN A 34 14.575 2.477 11.634 1.00 0.00 N ATOM 489 CA ASN A 34 15.790 1.674 11.705 1.00 0.00 C ATOM 490 C ASN A 34 15.708 0.663 12.845 1.00 0.00 C ATOM 491 O ASN A 34 15.670 1.036 14.017 1.00 0.00 O ATOM 492 CB ASN A 34 17.011 2.576 11.895 1.00 0.00 C ATOM 493 CG ASN A 34 18.242 1.799 12.321 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.440 0.655 11.914 1.00 0.00 O ATOM 495 ND2 ASN A 34 19.078 2.421 13.146 1.00 0.00 N ATOM 0 H ASN A 34 14.600 3.329 12.194 1.00 0.00 H new ATOM 0 HA ASN A 34 15.891 1.129 10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.220 3.101 10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.786 3.335 12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.923 1.949 13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.874 3.370 13.458 1.00 0.00 H new ATOM 502 N MET A 35 15.681 -0.618 12.491 1.00 0.00 N ATOM 503 CA MET A 35 15.606 -1.683 13.485 1.00 0.00 C ATOM 504 C MET A 35 16.972 -2.328 13.695 1.00 0.00 C ATOM 505 O MET A 35 17.395 -3.174 12.908 1.00 0.00 O ATOM 506 CB MET A 35 14.589 -2.741 13.052 1.00 0.00 C ATOM 507 CG MET A 35 13.179 -2.470 13.552 1.00 0.00 C ATOM 508 SD MET A 35 12.988 -2.813 15.311 1.00 0.00 S ATOM 509 CE MET A 35 11.697 -1.649 15.744 1.00 0.00 C ATOM 0 H MET A 35 15.710 -0.943 11.525 1.00 0.00 H new ATOM 0 HA MET A 35 15.283 -1.244 14.429 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.575 -2.796 11.963 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.914 -3.716 13.416 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.923 -1.428 13.359 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.474 -3.081 12.988 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.052 -2.087 16.506 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.146 -0.735 16.131 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.106 -1.416 14.859 1.00 0.00 H new ATOM 519 N GLN A 36 17.655 -1.923 14.760 1.00 0.00 N ATOM 520 CA GLN A 36 18.974 -2.462 15.071 1.00 0.00 C ATOM 521 C GLN A 36 18.917 -3.977 15.239 1.00 0.00 C ATOM 522 O GLN A 36 19.861 -4.686 14.890 1.00 0.00 O ATOM 523 CB GLN A 36 19.525 -1.817 16.344 1.00 0.00 C ATOM 524 CG GLN A 36 19.056 -2.494 17.621 1.00 0.00 C ATOM 525 CD GLN A 36 19.113 -1.574 18.825 1.00 0.00 C ATOM 526 OE1 GLN A 36 20.189 -1.285 19.349 1.00 0.00 O ATOM 527 NE2 GLN A 36 17.952 -1.108 19.270 1.00 0.00 N ATOM 0 H GLN A 36 17.318 -1.224 15.422 1.00 0.00 H new ATOM 0 HA GLN A 36 19.638 -2.231 14.238 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.614 -1.839 16.310 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.228 -0.769 16.368 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.033 -2.847 17.486 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.674 -3.372 17.810 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.084 -1.374 18.805 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.928 -0.484 20.077 1.00 0.00 H new ATOM 536 N ASP A 37 17.804 -4.466 15.775 1.00 0.00 N ATOM 537 CA ASP A 37 17.624 -5.897 15.988 1.00 0.00 C ATOM 538 C ASP A 37 18.226 -6.699 14.838 1.00 0.00 C ATOM 539 O ASP A 37 18.758 -7.791 15.039 1.00 0.00 O ATOM 540 CB ASP A 37 16.138 -6.229 16.135 1.00 0.00 C ATOM 541 CG ASP A 37 15.535 -5.641 17.395 1.00 0.00 C ATOM 542 OD1 ASP A 37 15.832 -6.158 18.493 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.766 -4.664 17.284 1.00 0.00 O ATOM 0 H ASP A 37 17.013 -3.893 16.070 1.00 0.00 H new ATOM 0 HA ASP A 37 18.142 -6.170 16.907 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.597 -5.852 15.267 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.010 -7.311 16.145 1.00 0.00 H new ATOM 548 N LYS A 38 18.138 -6.149 13.632 1.00 0.00 N ATOM 549 CA LYS A 38 18.674 -6.811 12.448 1.00 0.00 C ATOM 550 C LYS A 38 17.795 -7.989 12.039 1.00 0.00 C ATOM 551 O LYS A 38 18.295 -9.059 11.691 1.00 0.00 O ATOM 552 CB LYS A 38 20.102 -7.295 12.712 1.00 0.00 C ATOM 553 CG LYS A 38 20.880 -7.613 11.446 1.00 0.00 C ATOM 554 CD LYS A 38 21.467 -6.358 10.822 1.00 0.00 C ATOM 555 CE LYS A 38 21.788 -6.565 9.350 1.00 0.00 C ATOM 556 NZ LYS A 38 23.078 -7.285 9.160 1.00 0.00 N ATOM 0 H LYS A 38 17.700 -5.246 13.448 1.00 0.00 H new ATOM 0 HA LYS A 38 18.686 -6.088 11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.637 -6.531 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.065 -8.186 13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 21.682 -8.315 11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 38 20.223 -8.104 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 38 20.762 -5.533 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.373 -6.074 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.984 -7.130 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 38 21.834 -5.598 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.261 -7.407 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.849 -6.734 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.025 -8.218 9.616 1.00 0.00 H new ATOM 570 N THR A 39 16.482 -7.784 12.080 1.00 0.00 N ATOM 571 CA THR A 39 15.534 -8.828 11.713 1.00 0.00 C ATOM 572 C THR A 39 15.552 -9.084 10.210 1.00 0.00 C ATOM 573 O THR A 39 16.372 -8.520 9.486 1.00 0.00 O ATOM 574 CB THR A 39 14.101 -8.461 12.142 1.00 0.00 C ATOM 575 OG1 THR A 39 13.218 -9.561 11.892 1.00 0.00 O ATOM 576 CG2 THR A 39 13.610 -7.230 11.395 1.00 0.00 C ATOM 0 H THR A 39 16.051 -6.904 12.364 1.00 0.00 H new ATOM 0 HA THR A 39 15.842 -9.733 12.237 1.00 0.00 H new ATOM 0 HB THR A 39 14.111 -8.238 13.209 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.637 -10.393 12.197 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.596 -6.991 11.715 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.267 -6.387 11.611 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.615 -7.429 10.323 1.00 0.00 H new ATOM 584 N GLU A 40 14.643 -9.937 9.749 1.00 0.00 N ATOM 585 CA GLU A 40 14.557 -10.267 8.331 1.00 0.00 C ATOM 586 C GLU A 40 13.752 -9.213 7.575 1.00 0.00 C ATOM 587 O GLU A 40 13.023 -9.530 6.635 1.00 0.00 O ATOM 588 CB GLU A 40 13.917 -11.644 8.143 1.00 0.00 C ATOM 589 CG GLU A 40 12.510 -11.744 8.709 1.00 0.00 C ATOM 590 CD GLU A 40 11.911 -13.127 8.542 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.411 -14.071 9.188 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.943 -13.265 7.765 1.00 0.00 O ATOM 0 H GLU A 40 13.957 -10.412 10.336 1.00 0.00 H new ATOM 0 HA GLU A 40 15.569 -10.286 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.889 -11.880 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.546 -12.396 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.529 -11.486 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.871 -11.013 8.214 1.00 0.00 H new ATOM 599 N TRP A 41 13.891 -7.960 7.993 1.00 0.00 N ATOM 600 CA TRP A 41 13.177 -6.859 7.357 1.00 0.00 C ATOM 601 C TRP A 41 14.144 -5.768 6.911 1.00 0.00 C ATOM 602 O TRP A 41 15.031 -5.365 7.664 1.00 0.00 O ATOM 603 CB TRP A 41 12.138 -6.275 8.316 1.00 0.00 C ATOM 604 CG TRP A 41 11.063 -7.250 8.692 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.650 -8.333 7.970 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.263 -7.227 9.879 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.641 -8.986 8.638 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.386 -8.328 9.812 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.204 -6.387 10.994 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.462 -8.606 10.815 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.286 -6.664 11.989 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.426 -7.766 11.895 1.00 0.00 C ATOM 0 H TRP A 41 14.491 -7.681 8.769 1.00 0.00 H new ATOM 0 HA TRP A 41 12.668 -7.250 6.476 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.641 -5.933 9.221 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.680 -5.400 7.855 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.056 -8.632 7.015 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.160 -9.825 8.312 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.864 -5.536 11.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.797 -9.454 10.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.231 -6.020 12.854 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.721 -7.956 12.690 1.00 0.00 H new ATOM 623 N LYS A 42 13.969 -5.294 5.682 1.00 0.00 N ATOM 624 CA LYS A 42 14.826 -4.248 5.136 1.00 0.00 C ATOM 625 C LYS A 42 14.589 -2.922 5.851 1.00 0.00 C ATOM 626 O LYS A 42 14.035 -1.985 5.276 1.00 0.00 O ATOM 627 CB LYS A 42 14.570 -4.084 3.636 1.00 0.00 C ATOM 628 CG LYS A 42 15.124 -5.222 2.796 1.00 0.00 C ATOM 629 CD LYS A 42 16.617 -5.065 2.559 1.00 0.00 C ATOM 630 CE LYS A 42 16.900 -4.272 1.292 1.00 0.00 C ATOM 631 NZ LYS A 42 16.480 -5.011 0.070 1.00 0.00 N ATOM 0 H LYS A 42 13.241 -5.618 5.045 1.00 0.00 H new ATOM 0 HA LYS A 42 15.863 -4.544 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.496 -4.007 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.014 -3.147 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.932 -6.171 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.604 -5.255 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.071 -4.563 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.080 -6.049 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.376 -3.317 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.965 -4.049 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.025 -4.669 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.656 -6.028 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.466 -4.854 -0.099 1.00 0.00 H new ATOM 645 N LEU A 43 15.014 -2.849 7.107 1.00 0.00 N ATOM 646 CA LEU A 43 14.851 -1.636 7.901 1.00 0.00 C ATOM 647 C LEU A 43 16.205 -1.056 8.296 1.00 0.00 C ATOM 648 O LEU A 43 16.853 -1.542 9.222 1.00 0.00 O ATOM 649 CB LEU A 43 14.025 -1.931 9.155 1.00 0.00 C ATOM 650 CG LEU A 43 12.645 -2.546 8.920 1.00 0.00 C ATOM 651 CD1 LEU A 43 12.040 -3.018 10.233 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.724 -1.545 8.236 1.00 0.00 C ATOM 0 H LEU A 43 15.474 -3.615 7.598 1.00 0.00 H new ATOM 0 HA LEU A 43 14.326 -0.901 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.597 -2.605 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.897 -1.001 9.708 1.00 0.00 H new ATOM 0 HG LEU A 43 12.761 -3.410 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.058 -3.453 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.689 -3.769 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.938 -2.171 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.746 -2.000 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.615 -0.662 8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.150 -1.256 7.275 1.00 0.00 H new ATOM 664 N ASN A 44 16.625 -0.013 7.588 1.00 0.00 N ATOM 665 CA ASN A 44 17.902 0.635 7.865 1.00 0.00 C ATOM 666 C ASN A 44 17.753 2.153 7.867 1.00 0.00 C ATOM 667 O ASN A 44 18.547 2.866 7.255 1.00 0.00 O ATOM 668 CB ASN A 44 18.946 0.215 6.828 1.00 0.00 C ATOM 669 CG ASN A 44 19.289 -1.259 6.917 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.431 -2.091 7.215 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.549 -1.590 6.658 1.00 0.00 N ATOM 0 H ASN A 44 16.100 0.402 6.818 1.00 0.00 H new ATOM 0 HA ASN A 44 18.234 0.319 8.854 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.572 0.438 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.852 0.805 6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.839 -2.567 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 44 21.227 -0.867 6.415 1.00 0.00 H new ATOM 678 N GLY A 45 16.729 2.641 8.561 1.00 0.00 N ATOM 679 CA GLY A 45 16.494 4.071 8.630 1.00 0.00 C ATOM 680 C GLY A 45 16.536 4.733 7.267 1.00 0.00 C ATOM 681 O GLY A 45 17.590 5.189 6.825 1.00 0.00 O ATOM 0 H GLY A 45 16.058 2.071 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.523 4.254 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.244 4.528 9.276 1.00 0.00 H new ATOM 685 N GLN A 46 15.388 4.783 6.600 1.00 0.00 N ATOM 686 CA GLN A 46 15.300 5.391 5.277 1.00 0.00 C ATOM 687 C GLN A 46 13.855 5.735 4.932 1.00 0.00 C ATOM 688 O GLN A 46 12.955 5.582 5.757 1.00 0.00 O ATOM 689 CB GLN A 46 15.879 4.450 4.220 1.00 0.00 C ATOM 690 CG GLN A 46 15.087 3.164 4.050 1.00 0.00 C ATOM 691 CD GLN A 46 15.675 2.252 2.991 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.707 2.560 2.394 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.019 1.122 2.753 1.00 0.00 N ATOM 0 H GLN A 46 14.507 4.410 6.953 1.00 0.00 H new ATOM 0 HA GLN A 46 15.881 6.313 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.918 4.972 3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.905 4.202 4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.053 2.634 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.058 3.408 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.167 0.908 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.367 0.468 2.051 1.00 0.00 H new ATOM 702 N GLY A 47 13.639 6.202 3.705 1.00 0.00 N ATOM 703 CA GLY A 47 12.302 6.561 3.273 1.00 0.00 C ATOM 704 C GLY A 47 12.004 6.095 1.861 1.00 0.00 C ATOM 705 O GLY A 47 12.826 6.260 0.959 1.00 0.00 O ATOM 0 H GLY A 47 14.367 6.338 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.573 6.126 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.184 7.643 3.328 1.00 0.00 H new ATOM 709 N LEU A 48 10.828 5.509 1.669 1.00 0.00 N ATOM 710 CA LEU A 48 10.424 5.015 0.357 1.00 0.00 C ATOM 711 C LEU A 48 9.185 5.750 -0.144 1.00 0.00 C ATOM 712 O LEU A 48 8.148 5.764 0.519 1.00 0.00 O ATOM 713 CB LEU A 48 10.149 3.511 0.418 1.00 0.00 C ATOM 714 CG LEU A 48 11.277 2.645 0.980 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.840 1.191 1.068 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.528 2.777 0.124 1.00 0.00 C ATOM 0 H LEU A 48 10.137 5.364 2.405 1.00 0.00 H new ATOM 0 HA LEU A 48 11.241 5.201 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.257 3.349 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.918 3.163 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 48 11.511 2.994 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.655 0.590 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.973 1.111 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.578 0.829 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.320 2.154 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.308 2.455 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.853 3.817 0.113 1.00 0.00 H new ATOM 728 N VAL A 49 9.300 6.359 -1.320 1.00 0.00 N ATOM 729 CA VAL A 49 8.188 7.093 -1.912 1.00 0.00 C ATOM 730 C VAL A 49 7.587 6.328 -3.085 1.00 0.00 C ATOM 731 O VAL A 49 8.303 5.689 -3.857 1.00 0.00 O ATOM 732 CB VAL A 49 8.631 8.487 -2.396 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.446 9.259 -2.958 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.291 9.259 -1.264 1.00 0.00 C ATOM 0 H VAL A 49 10.152 6.359 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 49 7.434 7.209 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 49 9.363 8.360 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.778 10.241 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.021 8.711 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.689 9.378 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.598 10.241 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.583 9.378 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.166 8.712 -0.912 1.00 0.00 H new ATOM 744 N PHE A 50 6.266 6.397 -3.215 1.00 0.00 N ATOM 745 CA PHE A 50 5.566 5.710 -4.294 1.00 0.00 C ATOM 746 C PHE A 50 4.396 6.547 -4.803 1.00 0.00 C ATOM 747 O PHE A 50 3.551 6.992 -4.025 1.00 0.00 O ATOM 748 CB PHE A 50 5.064 4.346 -3.818 1.00 0.00 C ATOM 749 CG PHE A 50 6.056 3.604 -2.969 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.210 3.079 -3.528 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.836 3.433 -1.612 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.126 2.396 -2.749 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.748 2.752 -0.828 1.00 0.00 C ATOM 754 CZ PHE A 50 7.894 2.232 -1.398 1.00 0.00 C ATOM 0 H PHE A 50 5.659 6.922 -2.586 1.00 0.00 H new ATOM 0 HA PHE A 50 6.269 5.564 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.144 4.485 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.814 3.737 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.396 3.205 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.941 3.837 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.022 1.991 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.565 2.627 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.607 1.698 -0.788 1.00 0.00 H new ATOM 764 N THR A 51 4.353 6.757 -6.115 1.00 0.00 N ATOM 765 CA THR A 51 3.288 7.541 -6.729 1.00 0.00 C ATOM 766 C THR A 51 2.132 6.649 -7.168 1.00 0.00 C ATOM 767 O THR A 51 2.266 5.854 -8.099 1.00 0.00 O ATOM 768 CB THR A 51 3.803 8.331 -7.947 1.00 0.00 C ATOM 769 OG1 THR A 51 4.791 7.565 -8.646 1.00 0.00 O ATOM 770 CG2 THR A 51 4.399 9.663 -7.515 1.00 0.00 C ATOM 0 H THR A 51 5.043 6.395 -6.773 1.00 0.00 H new ATOM 0 HA THR A 51 2.935 8.242 -5.973 1.00 0.00 H new ATOM 0 HB THR A 51 2.959 8.526 -8.609 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.112 8.073 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.756 10.203 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.637 10.256 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.232 9.485 -6.834 1.00 0.00 H new ATOM 778 N LEU A 52 0.996 6.787 -6.493 1.00 0.00 N ATOM 779 CA LEU A 52 -0.185 5.994 -6.814 1.00 0.00 C ATOM 780 C LEU A 52 -1.458 6.813 -6.627 1.00 0.00 C ATOM 781 O LEU A 52 -1.654 7.479 -5.610 1.00 0.00 O ATOM 782 CB LEU A 52 -0.238 4.742 -5.936 1.00 0.00 C ATOM 783 CG LEU A 52 1.033 3.892 -5.902 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.950 4.348 -4.778 1.00 0.00 C ATOM 785 CD2 LEU A 52 0.685 2.419 -5.745 1.00 0.00 C ATOM 0 H LEU A 52 0.868 7.440 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.117 5.694 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.474 5.047 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.061 4.116 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 52 1.560 4.022 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.849 3.732 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.226 5.391 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.433 4.249 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.601 1.829 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.136 2.272 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.068 2.099 -6.585 1.00 0.00 H new ATOM 797 N PRO A 53 -2.346 6.764 -7.631 1.00 0.00 N ATOM 798 CA PRO A 53 -3.618 7.493 -7.600 1.00 0.00 C ATOM 799 C PRO A 53 -4.592 6.917 -6.579 1.00 0.00 C ATOM 800 O PRO A 53 -4.359 5.845 -6.019 1.00 0.00 O ATOM 801 CB PRO A 53 -4.163 7.316 -9.020 1.00 0.00 C ATOM 802 CG PRO A 53 -3.539 6.055 -9.510 1.00 0.00 C ATOM 803 CD PRO A 53 -2.178 5.991 -8.874 1.00 0.00 C ATOM 0 HA PRO A 53 -3.484 8.534 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.251 7.246 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.898 8.162 -9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.140 5.189 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.462 6.055 -10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.877 4.963 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.413 6.426 -9.517 1.00 0.00 H new ATOM 811 N LEU A 54 -5.685 7.633 -6.342 1.00 0.00 N ATOM 812 CA LEU A 54 -6.697 7.192 -5.388 1.00 0.00 C ATOM 813 C LEU A 54 -7.793 6.394 -6.086 1.00 0.00 C ATOM 814 O LEU A 54 -8.832 6.939 -6.459 1.00 0.00 O ATOM 815 CB LEU A 54 -7.307 8.397 -4.668 1.00 0.00 C ATOM 816 CG LEU A 54 -6.409 9.093 -3.645 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.175 8.195 -2.441 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.085 9.491 -4.281 1.00 0.00 C ATOM 0 H LEU A 54 -5.894 8.522 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.213 6.545 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.606 9.130 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.215 8.071 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.913 9.998 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.534 8.708 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.130 7.961 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.693 7.272 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.459 9.985 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.576 8.600 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.270 10.173 -5.111 1.00 0.00 H new ATOM 830 N THR A 55 -7.555 5.097 -6.258 1.00 0.00 N ATOM 831 CA THR A 55 -8.522 4.223 -6.910 1.00 0.00 C ATOM 832 C THR A 55 -8.818 2.996 -6.055 1.00 0.00 C ATOM 833 O THR A 55 -9.952 2.787 -5.625 1.00 0.00 O ATOM 834 CB THR A 55 -8.020 3.763 -8.292 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.700 3.220 -8.178 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.015 4.920 -9.279 1.00 0.00 C ATOM 0 H THR A 55 -6.701 4.629 -5.955 1.00 0.00 H new ATOM 0 HA THR A 55 -9.436 4.802 -7.038 1.00 0.00 H new ATOM 0 HB THR A 55 -8.698 2.994 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.389 2.928 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.657 4.571 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.027 5.311 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.358 5.708 -8.912 1.00 0.00 H new ATOM 844 N ASP A 56 -7.792 2.189 -5.812 1.00 0.00 N ATOM 845 CA ASP A 56 -7.942 0.983 -5.006 1.00 0.00 C ATOM 846 C ASP A 56 -7.833 1.306 -3.519 1.00 0.00 C ATOM 847 O ASP A 56 -7.740 2.470 -3.133 1.00 0.00 O ATOM 848 CB ASP A 56 -6.884 -0.051 -5.395 1.00 0.00 C ATOM 849 CG ASP A 56 -7.345 -0.955 -6.522 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.510 -1.402 -6.486 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.539 -1.214 -7.440 1.00 0.00 O ATOM 0 H ASP A 56 -6.847 2.348 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.932 0.568 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.971 0.463 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.636 -0.658 -4.524 1.00 0.00 H new ATOM 856 N GLN A 57 -7.846 0.267 -2.691 1.00 0.00 N ATOM 857 CA GLN A 57 -7.750 0.441 -1.246 1.00 0.00 C ATOM 858 C GLN A 57 -6.300 0.637 -0.816 1.00 0.00 C ATOM 859 O GLN A 57 -5.402 0.736 -1.652 1.00 0.00 O ATOM 860 CB GLN A 57 -8.349 -0.768 -0.525 1.00 0.00 C ATOM 861 CG GLN A 57 -9.818 -0.998 -0.841 1.00 0.00 C ATOM 862 CD GLN A 57 -10.501 -1.892 0.176 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.019 -2.982 0.484 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.630 -1.434 0.703 1.00 0.00 N ATOM 0 H GLN A 57 -7.922 -0.704 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.314 1.334 -0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.784 -1.659 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.234 -0.633 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.332 -0.038 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.907 -1.446 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.993 -0.524 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.134 -1.992 1.392 1.00 0.00 H new ATOM 873 N VAL A 58 -6.078 0.691 0.493 1.00 0.00 N ATOM 874 CA VAL A 58 -4.737 0.875 1.035 1.00 0.00 C ATOM 875 C VAL A 58 -3.875 -0.360 0.797 1.00 0.00 C ATOM 876 O VAL A 58 -2.650 -0.306 0.909 1.00 0.00 O ATOM 877 CB VAL A 58 -4.777 1.176 2.545 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.368 1.288 3.105 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.569 2.447 2.812 1.00 0.00 C ATOM 0 H VAL A 58 -6.810 0.610 1.199 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.300 1.727 0.515 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.277 0.350 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.417 1.501 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.838 0.349 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.838 2.094 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.588 2.646 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.099 3.284 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.589 2.323 2.448 1.00 0.00 H new ATOM 889 N SER A 59 -4.523 -1.473 0.468 1.00 0.00 N ATOM 890 CA SER A 59 -3.816 -2.723 0.218 1.00 0.00 C ATOM 891 C SER A 59 -2.702 -2.522 -0.805 1.00 0.00 C ATOM 892 O SER A 59 -1.570 -2.962 -0.603 1.00 0.00 O ATOM 893 CB SER A 59 -4.790 -3.795 -0.276 1.00 0.00 C ATOM 894 OG SER A 59 -5.527 -3.336 -1.396 1.00 0.00 O ATOM 0 H SER A 59 -5.536 -1.534 0.368 1.00 0.00 H new ATOM 0 HA SER A 59 -3.369 -3.053 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.239 -4.696 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.475 -4.067 0.527 1.00 0.00 H new ATOM 0 HG SER A 59 -6.141 -4.039 -1.694 1.00 0.00 H new ATOM 900 N VAL A 60 -3.032 -1.854 -1.906 1.00 0.00 N ATOM 901 CA VAL A 60 -2.060 -1.592 -2.961 1.00 0.00 C ATOM 902 C VAL A 60 -0.833 -0.873 -2.413 1.00 0.00 C ATOM 903 O VAL A 60 0.243 -0.917 -3.010 1.00 0.00 O ATOM 904 CB VAL A 60 -2.675 -0.746 -4.092 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.828 -1.489 -4.749 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.133 0.603 -3.559 1.00 0.00 C ATOM 0 H VAL A 60 -3.965 -1.485 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.760 -2.560 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.910 -0.571 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.250 -0.876 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.465 -2.427 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.597 -1.697 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.565 1.188 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.883 0.452 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.280 1.138 -3.141 1.00 0.00 H new ATOM 916 N ILE A 61 -1.002 -0.212 -1.272 1.00 0.00 N ATOM 917 CA ILE A 61 0.093 0.515 -0.642 1.00 0.00 C ATOM 918 C ILE A 61 0.995 -0.426 0.148 1.00 0.00 C ATOM 919 O ILE A 61 2.215 -0.258 0.177 1.00 0.00 O ATOM 920 CB ILE A 61 -0.430 1.616 0.298 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.329 2.588 -0.469 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.731 2.358 0.943 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.907 3.687 0.394 1.00 0.00 C ATOM 0 H ILE A 61 -1.886 -0.165 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 61 0.668 0.977 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.020 1.149 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.756 3.038 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.145 2.030 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.345 3.133 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.336 1.657 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.346 2.816 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.533 4.338 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.508 3.247 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.097 4.270 0.832 1.00 0.00 H new ATOM 935 N LYS A 62 0.388 -1.420 0.788 1.00 0.00 N ATOM 936 CA LYS A 62 1.136 -2.392 1.577 1.00 0.00 C ATOM 937 C LYS A 62 1.933 -3.328 0.674 1.00 0.00 C ATOM 938 O LYS A 62 3.138 -3.505 0.856 1.00 0.00 O ATOM 939 CB LYS A 62 0.184 -3.205 2.458 1.00 0.00 C ATOM 940 CG LYS A 62 -0.769 -2.348 3.274 1.00 0.00 C ATOM 941 CD LYS A 62 -1.130 -3.016 4.591 1.00 0.00 C ATOM 942 CE LYS A 62 -1.432 -1.989 5.672 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.865 -1.584 5.667 1.00 0.00 N ATOM 0 H LYS A 62 -0.620 -1.574 0.776 1.00 0.00 H new ATOM 0 HA LYS A 62 1.834 -1.847 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.396 -3.879 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.770 -3.827 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.311 -1.378 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.676 -2.162 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.997 -3.661 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.308 -3.655 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.175 -2.402 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.805 -1.110 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.107 -1.152 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.029 -0.896 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.462 -2.421 5.511 1.00 0.00 H new ATOM 957 N VAL A 63 1.253 -3.926 -0.299 1.00 0.00 N ATOM 958 CA VAL A 63 1.899 -4.842 -1.232 1.00 0.00 C ATOM 959 C VAL A 63 3.232 -4.283 -1.717 1.00 0.00 C ATOM 960 O VAL A 63 4.199 -5.022 -1.898 1.00 0.00 O ATOM 961 CB VAL A 63 1.001 -5.128 -2.450 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.035 -3.961 -3.425 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.427 -6.418 -3.134 1.00 0.00 C ATOM 0 H VAL A 63 0.255 -3.793 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 63 2.074 -5.773 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.025 -5.249 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.395 -4.182 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.678 -3.060 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.057 -3.804 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.782 -6.605 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.460 -6.328 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.345 -7.247 -2.431 1.00 0.00 H new ATOM 973 N LYS A 64 3.276 -2.971 -1.926 1.00 0.00 N ATOM 974 CA LYS A 64 4.490 -2.310 -2.390 1.00 0.00 C ATOM 975 C LYS A 64 5.642 -2.545 -1.417 1.00 0.00 C ATOM 976 O LYS A 64 6.701 -3.040 -1.803 1.00 0.00 O ATOM 977 CB LYS A 64 4.247 -0.809 -2.556 1.00 0.00 C ATOM 978 CG LYS A 64 3.163 -0.477 -3.567 1.00 0.00 C ATOM 979 CD LYS A 64 3.702 -0.495 -4.988 1.00 0.00 C ATOM 980 CE LYS A 64 2.585 -0.675 -6.005 1.00 0.00 C ATOM 981 NZ LYS A 64 3.076 -0.514 -7.402 1.00 0.00 N ATOM 0 H LYS A 64 2.484 -2.344 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 64 4.760 -2.736 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.974 -0.385 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.177 -0.330 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.348 -1.195 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.748 0.506 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.232 0.436 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.426 -1.303 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.142 -1.664 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.796 0.052 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.285 -0.644 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.475 0.439 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.811 -1.224 -7.596 1.00 0.00 H new ATOM 995 N ILE A 65 5.427 -2.187 -0.156 1.00 0.00 N ATOM 996 CA ILE A 65 6.446 -2.361 0.872 1.00 0.00 C ATOM 997 C ILE A 65 7.117 -3.725 0.754 1.00 0.00 C ATOM 998 O ILE A 65 8.310 -3.820 0.461 1.00 0.00 O ATOM 999 CB ILE A 65 5.853 -2.213 2.285 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.287 -0.805 2.479 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.909 -2.516 3.337 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.278 -0.709 3.602 1.00 0.00 C ATOM 0 H ILE A 65 4.556 -1.775 0.179 1.00 0.00 H new ATOM 0 HA ILE A 65 7.188 -1.578 0.716 1.00 0.00 H new ATOM 0 HB ILE A 65 5.040 -2.930 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.108 -0.117 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.817 -0.480 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.474 -2.407 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.269 -3.537 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.742 -1.821 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.919 0.317 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.438 -1.372 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.749 -1.003 4.540 1.00 0.00 H new ATOM 1014 N HIS A 66 6.343 -4.781 0.984 1.00 0.00 N ATOM 1015 CA HIS A 66 6.862 -6.142 0.902 1.00 0.00 C ATOM 1016 C HIS A 66 7.716 -6.323 -0.350 1.00 0.00 C ATOM 1017 O HIS A 66 8.666 -7.105 -0.356 1.00 0.00 O ATOM 1018 CB HIS A 66 5.712 -7.150 0.899 1.00 0.00 C ATOM 1019 CG HIS A 66 6.163 -8.574 1.008 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.246 -9.422 -0.076 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.559 -9.297 2.081 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.671 -10.606 0.326 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.869 -10.557 1.631 1.00 0.00 N ATOM 0 H HIS A 66 5.355 -4.721 1.229 1.00 0.00 H new ATOM 0 HA HIS A 66 7.488 -6.319 1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.041 -6.926 1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.136 -7.029 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.620 -8.948 3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.830 -11.468 -0.305 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.198 -11.329 2.210 1.00 0.00 H new ATOM 1032 N GLU A 67 7.369 -5.596 -1.407 1.00 0.00 N ATOM 1033 CA GLU A 67 8.103 -5.679 -2.664 1.00 0.00 C ATOM 1034 C GLU A 67 9.572 -5.315 -2.462 1.00 0.00 C ATOM 1035 O GLU A 67 10.463 -6.129 -2.704 1.00 0.00 O ATOM 1036 CB GLU A 67 7.477 -4.753 -3.709 1.00 0.00 C ATOM 1037 CG GLU A 67 7.561 -5.290 -5.127 1.00 0.00 C ATOM 1038 CD GLU A 67 8.928 -5.856 -5.457 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.152 -7.057 -5.199 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.775 -5.096 -5.973 1.00 0.00 O ATOM 0 H GLU A 67 6.585 -4.944 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 67 8.046 -6.708 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.430 -4.587 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.973 -3.784 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.808 -6.067 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.324 -4.490 -5.829 1.00 0.00 H new ATOM 1047 N ALA A 68 9.815 -4.087 -2.015 1.00 0.00 N ATOM 1048 CA ALA A 68 11.174 -3.616 -1.779 1.00 0.00 C ATOM 1049 C ALA A 68 11.759 -4.241 -0.517 1.00 0.00 C ATOM 1050 O ALA A 68 12.822 -4.862 -0.554 1.00 0.00 O ATOM 1051 CB ALA A 68 11.196 -2.098 -1.677 1.00 0.00 C ATOM 0 H ALA A 68 9.089 -3.401 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 68 11.791 -3.921 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.217 -1.760 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.826 -1.665 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.561 -1.780 -0.851 1.00 0.00 H new ATOM 1057 N THR A 69 11.060 -4.071 0.601 1.00 0.00 N ATOM 1058 CA THR A 69 11.512 -4.617 1.875 1.00 0.00 C ATOM 1059 C THR A 69 10.903 -5.991 2.132 1.00 0.00 C ATOM 1060 O THR A 69 9.839 -6.316 1.608 1.00 0.00 O ATOM 1061 CB THR A 69 11.153 -3.682 3.045 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.731 -3.595 3.185 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.732 -2.293 2.825 1.00 0.00 C ATOM 0 H THR A 69 10.179 -3.560 0.650 1.00 0.00 H new ATOM 0 HA THR A 69 12.596 -4.710 1.812 1.00 0.00 H new ATOM 0 HB THR A 69 11.582 -4.097 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.305 -3.779 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.465 -1.651 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.817 -2.359 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.329 -1.873 1.904 1.00 0.00 H new ATOM 1071 N GLY A 70 11.586 -6.794 2.942 1.00 0.00 N ATOM 1072 CA GLY A 70 11.096 -8.123 3.255 1.00 0.00 C ATOM 1073 C GLY A 70 10.099 -8.120 4.396 1.00 0.00 C ATOM 1074 O GLY A 70 10.005 -9.089 5.150 1.00 0.00 O ATOM 0 H GLY A 70 12.470 -6.548 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.628 -8.552 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.938 -8.765 3.514 1.00 0.00 H new ATOM 1078 N MET A 71 9.352 -7.028 4.525 1.00 0.00 N ATOM 1079 CA MET A 71 8.357 -6.904 5.583 1.00 0.00 C ATOM 1080 C MET A 71 6.980 -7.332 5.088 1.00 0.00 C ATOM 1081 O MET A 71 6.535 -6.948 4.006 1.00 0.00 O ATOM 1082 CB MET A 71 8.302 -5.462 6.094 1.00 0.00 C ATOM 1083 CG MET A 71 7.667 -5.329 7.468 1.00 0.00 C ATOM 1084 SD MET A 71 7.908 -3.693 8.188 1.00 0.00 S ATOM 1085 CE MET A 71 7.414 -3.993 9.884 1.00 0.00 C ATOM 0 H MET A 71 9.417 -6.217 3.910 1.00 0.00 H new ATOM 0 HA MET A 71 8.650 -7.562 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.314 -5.059 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.742 -4.854 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.599 -5.535 7.392 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.090 -6.081 8.134 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.738 -3.203 10.211 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.907 -4.955 9.950 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.297 -4.003 10.524 1.00 0.00 H new ATOM 1095 N PRO A 72 6.287 -8.148 5.896 1.00 0.00 N ATOM 1096 CA PRO A 72 4.949 -8.646 5.560 1.00 0.00 C ATOM 1097 C PRO A 72 3.894 -7.547 5.602 1.00 0.00 C ATOM 1098 O PRO A 72 4.002 -6.598 6.378 1.00 0.00 O ATOM 1099 CB PRO A 72 4.677 -9.691 6.645 1.00 0.00 C ATOM 1100 CG PRO A 72 5.523 -9.270 7.796 1.00 0.00 C ATOM 1101 CD PRO A 72 6.754 -8.647 7.200 1.00 0.00 C ATOM 0 HA PRO A 72 4.905 -9.043 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.622 -9.714 6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.941 -10.693 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.993 -8.559 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.782 -10.124 8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.139 -7.841 7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.558 -9.374 7.087 1.00 0.00 H new ATOM 1109 N ALA A 73 2.872 -7.682 4.762 1.00 0.00 N ATOM 1110 CA ALA A 73 1.795 -6.701 4.706 1.00 0.00 C ATOM 1111 C ALA A 73 0.807 -6.905 5.849 1.00 0.00 C ATOM 1112 O ALA A 73 -0.405 -6.929 5.638 1.00 0.00 O ATOM 1113 CB ALA A 73 1.079 -6.780 3.366 1.00 0.00 C ATOM 0 H ALA A 73 2.768 -8.461 4.112 1.00 0.00 H new ATOM 0 HA ALA A 73 2.234 -5.709 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.277 -6.042 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.787 -6.577 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.659 -7.777 3.236 1.00 0.00 H new ATOM 1119 N GLY A 74 1.333 -7.051 7.062 1.00 0.00 N ATOM 1120 CA GLY A 74 0.482 -7.252 8.220 1.00 0.00 C ATOM 1121 C GLY A 74 1.125 -6.763 9.503 1.00 0.00 C ATOM 1122 O GLY A 74 0.736 -5.729 10.046 1.00 0.00 O ATOM 0 H GLY A 74 2.333 -7.034 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.462 -6.729 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.248 -8.312 8.316 1.00 0.00 H new ATOM 1126 N LYS A 75 2.110 -7.510 9.991 1.00 0.00 N ATOM 1127 CA LYS A 75 2.808 -7.148 11.218 1.00 0.00 C ATOM 1128 C LYS A 75 3.051 -5.644 11.283 1.00 0.00 C ATOM 1129 O LYS A 75 2.917 -5.030 12.341 1.00 0.00 O ATOM 1130 CB LYS A 75 4.141 -7.895 11.310 1.00 0.00 C ATOM 1131 CG LYS A 75 4.020 -9.282 11.917 1.00 0.00 C ATOM 1132 CD LYS A 75 5.365 -9.986 11.972 1.00 0.00 C ATOM 1133 CE LYS A 75 5.269 -11.317 12.702 1.00 0.00 C ATOM 1134 NZ LYS A 75 4.914 -12.431 11.781 1.00 0.00 N ATOM 0 H LYS A 75 2.443 -8.370 9.555 1.00 0.00 H new ATOM 0 HA LYS A 75 2.179 -7.433 12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.570 -7.981 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.838 -7.306 11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.607 -9.205 12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.321 -9.877 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.732 -10.151 10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.091 -9.346 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.221 -11.535 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.520 -11.245 13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.859 -13.320 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.993 -12.236 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.642 -12.517 11.043 1.00 0.00 H new ATOM 1148 N GLN A 76 3.408 -5.057 10.145 1.00 0.00 N ATOM 1149 CA GLN A 76 3.669 -3.624 10.074 1.00 0.00 C ATOM 1150 C GLN A 76 2.388 -2.826 10.296 1.00 0.00 C ATOM 1151 O GLN A 76 1.284 -3.338 10.107 1.00 0.00 O ATOM 1152 CB GLN A 76 4.282 -3.262 8.720 1.00 0.00 C ATOM 1153 CG GLN A 76 3.406 -3.639 7.536 1.00 0.00 C ATOM 1154 CD GLN A 76 3.804 -2.917 6.263 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.755 -1.689 6.191 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.201 -3.679 5.250 1.00 0.00 N ATOM 0 H GLN A 76 3.523 -5.551 9.260 1.00 0.00 H new ATOM 0 HA GLN A 76 4.376 -3.369 10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.474 -2.189 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.246 -3.761 8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.465 -4.715 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.367 -3.409 7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.226 -4.693 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.481 -3.250 4.368 1.00 0.00 H new ATOM 1165 N LYS A 77 2.542 -1.569 10.698 1.00 0.00 N ATOM 1166 CA LYS A 77 1.399 -0.699 10.945 1.00 0.00 C ATOM 1167 C LYS A 77 1.591 0.657 10.272 1.00 0.00 C ATOM 1168 O LYS A 77 2.387 1.480 10.727 1.00 0.00 O ATOM 1169 CB LYS A 77 1.192 -0.508 12.449 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.205 -0.038 12.816 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.323 0.251 14.303 1.00 0.00 C ATOM 1172 CE LYS A 77 0.875 1.036 14.815 1.00 0.00 C ATOM 1173 NZ LYS A 77 1.140 2.246 13.989 1.00 0.00 N ATOM 0 H LYS A 77 3.448 -1.130 10.860 1.00 0.00 H new ATOM 0 HA LYS A 77 0.515 -1.174 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.394 -1.451 12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.918 0.216 12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.448 0.861 12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.932 -0.799 12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.237 0.814 14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.406 -0.687 14.852 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.699 1.334 15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.757 0.395 14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.566 2.986 14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.793 2.003 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.246 2.596 13.589 1.00 0.00 H new ATOM 1187 N LEU A 78 0.858 0.883 9.187 1.00 0.00 N ATOM 1188 CA LEU A 78 0.947 2.140 8.452 1.00 0.00 C ATOM 1189 C LEU A 78 0.137 3.233 9.143 1.00 0.00 C ATOM 1190 O LEU A 78 -1.093 3.216 9.117 1.00 0.00 O ATOM 1191 CB LEU A 78 0.451 1.951 7.018 1.00 0.00 C ATOM 1192 CG LEU A 78 1.204 0.918 6.178 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.659 0.885 4.759 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.695 1.220 6.172 1.00 0.00 C ATOM 0 H LEU A 78 0.196 0.212 8.797 1.00 0.00 H new ATOM 0 HA LEU A 78 1.993 2.447 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.600 1.665 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.503 2.913 6.507 1.00 0.00 H new ATOM 0 HG LEU A 78 1.055 -0.065 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.207 0.145 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.398 0.620 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.777 1.867 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.215 0.475 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.864 2.210 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.076 1.191 7.193 1.00 0.00 H new ATOM 1206 N GLN A 79 0.836 4.183 9.756 1.00 0.00 N ATOM 1207 CA GLN A 79 0.182 5.284 10.451 1.00 0.00 C ATOM 1208 C GLN A 79 0.199 6.551 9.602 1.00 0.00 C ATOM 1209 O GLN A 79 1.255 7.138 9.367 1.00 0.00 O ATOM 1210 CB GLN A 79 0.866 5.546 11.794 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.061 6.134 12.845 1.00 0.00 C ATOM 1212 CD GLN A 79 0.545 6.115 14.234 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.714 5.769 14.410 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.248 6.489 15.232 1.00 0.00 N ATOM 0 H GLN A 79 1.855 4.212 9.785 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.856 5.002 10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.280 4.610 12.170 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.704 6.226 11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.306 7.161 12.574 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.996 5.574 12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.210 6.768 15.042 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.106 6.497 16.189 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.977 6.966 9.145 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.097 8.162 8.319 1.00 0.00 C ATOM 1225 C TYR A 80 -1.453 9.378 9.170 1.00 0.00 C ATOM 1226 O TYR A 80 -2.578 9.502 9.653 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.156 7.956 7.236 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.635 9.243 6.604 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.739 10.249 6.266 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.984 9.453 6.345 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.171 11.427 5.689 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.425 10.628 5.766 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.515 11.612 5.441 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.952 12.783 4.866 1.00 0.00 O ATOM 0 H TYR A 80 -1.861 6.492 9.332 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.133 8.343 7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.748 7.310 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.009 7.434 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.686 10.107 6.458 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.700 8.685 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.460 12.199 5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.477 10.775 5.569 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.926 12.751 4.759 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.486 10.272 9.346 1.00 0.00 N ATOM 1245 CA GLU A 81 -0.697 11.479 10.138 1.00 0.00 C ATOM 1246 C GLU A 81 -1.373 11.147 11.465 1.00 0.00 C ATOM 1247 O GLU A 81 -2.051 11.986 12.056 1.00 0.00 O ATOM 1248 CB GLU A 81 -1.546 12.485 9.358 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.954 11.995 9.064 1.00 0.00 C ATOM 1250 CD GLU A 81 -3.863 13.100 8.562 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -3.360 14.018 7.881 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -5.076 13.048 8.851 1.00 0.00 O ATOM 0 H GLU A 81 0.451 10.184 8.952 1.00 0.00 H new ATOM 0 HA GLU A 81 0.277 11.921 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.605 13.414 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.047 12.716 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.910 11.200 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.380 11.562 9.969 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.183 9.915 11.928 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.780 9.492 13.181 1.00 0.00 C ATOM 1261 C GLY A 82 -2.777 8.366 12.997 1.00 0.00 C ATOM 1262 O GLY A 82 -2.850 7.452 13.820 1.00 0.00 O ATOM 0 H GLY A 82 -0.626 9.202 11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.994 9.169 13.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.278 10.342 13.648 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.548 8.430 11.917 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.546 7.407 11.629 1.00 0.00 C ATOM 1268 C ILE A 83 -3.886 6.074 11.295 1.00 0.00 C ATOM 1269 O ILE A 83 -2.755 6.033 10.810 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.457 7.824 10.459 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.384 8.964 10.887 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.266 6.632 9.968 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -5.819 10.339 10.605 1.00 0.00 C ATOM 0 H ILE A 83 -3.501 9.179 11.227 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.152 7.294 12.528 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.832 8.178 9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.338 8.859 10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.587 8.875 11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.905 6.942 9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.589 5.848 9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.884 6.252 10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.529 11.098 10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.879 10.463 11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.642 10.447 9.535 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.601 4.985 11.555 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.085 3.648 11.282 1.00 0.00 C ATOM 1287 C PHE A 84 -4.716 3.070 10.018 1.00 0.00 C ATOM 1288 O PHE A 84 -5.279 1.975 10.038 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.354 2.722 12.469 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.770 3.218 13.761 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.441 2.982 14.072 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.551 3.922 14.664 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.902 3.438 15.261 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -4.018 4.380 15.854 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.691 4.139 16.152 1.00 0.00 C ATOM 0 H PHE A 84 -5.539 5.001 11.954 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.009 3.725 11.128 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.431 2.602 12.589 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.945 1.736 12.250 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.819 2.436 13.378 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.589 4.115 14.435 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.865 3.246 15.493 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.638 4.926 16.550 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.271 4.498 17.080 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.618 3.814 8.922 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.178 3.376 7.649 1.00 0.00 C ATOM 1307 C ILE A 85 -5.061 1.864 7.489 1.00 0.00 C ATOM 1308 O ILE A 85 -4.017 1.277 7.773 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.479 4.062 6.460 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.960 3.924 6.585 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.879 5.528 6.385 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.227 4.123 5.277 1.00 0.00 C ATOM 0 H ILE A 85 -4.156 4.723 8.889 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.231 3.659 7.653 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.795 3.572 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.596 4.651 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.724 2.935 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.377 5.999 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.958 5.604 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.588 6.032 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.155 4.011 5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.564 3.380 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.433 5.122 4.893 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.140 1.238 7.030 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.160 -0.206 6.828 1.00 0.00 C ATOM 1326 C LYS A 86 -6.420 -0.547 5.364 1.00 0.00 C ATOM 1327 O LYS A 86 -6.836 0.309 4.582 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.231 -0.850 7.711 1.00 0.00 C ATOM 1329 CG LYS A 86 -8.637 -0.354 7.423 1.00 0.00 C ATOM 1330 CD LYS A 86 -9.494 -0.345 8.677 1.00 0.00 C ATOM 1331 CE LYS A 86 -10.976 -0.301 8.340 1.00 0.00 C ATOM 1332 NZ LYS A 86 -11.801 -0.993 9.369 1.00 0.00 N ATOM 0 H LYS A 86 -7.013 1.709 6.791 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.183 -0.601 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.201 -1.931 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.993 -0.655 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.590 0.652 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.101 -0.990 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.281 -1.234 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.234 0.518 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.298 0.737 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.141 -0.767 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.805 -0.940 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.512 -1.990 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.664 -0.533 10.291 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.174 -1.800 5.001 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.385 -2.255 3.632 1.00 0.00 C ATOM 1348 C ASP A 87 -7.837 -2.665 3.412 1.00 0.00 C ATOM 1349 O ASP A 87 -8.319 -2.699 2.280 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.456 -3.428 3.313 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.243 -4.339 4.506 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.064 -5.259 4.704 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.256 -4.131 5.241 1.00 0.00 O ATOM 0 H ASP A 87 -5.828 -2.520 5.636 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.156 -1.427 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.875 -4.005 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.493 -3.044 2.976 1.00 0.00 H new ATOM 1358 N SER A 88 -8.530 -2.978 4.503 1.00 0.00 N ATOM 1359 CA SER A 88 -9.926 -3.391 4.430 1.00 0.00 C ATOM 1360 C SER A 88 -10.796 -2.269 3.871 1.00 0.00 C ATOM 1361 O SER A 88 -11.789 -2.520 3.188 1.00 0.00 O ATOM 1362 CB SER A 88 -10.432 -3.802 5.814 1.00 0.00 C ATOM 1363 OG SER A 88 -11.843 -3.935 5.823 1.00 0.00 O ATOM 0 H SER A 88 -8.147 -2.953 5.448 1.00 0.00 H new ATOM 0 HA SER A 88 -9.991 -4.247 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.973 -4.746 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.129 -3.058 6.551 1.00 0.00 H new ATOM 0 HG SER A 88 -12.141 -4.200 6.718 1.00 0.00 H new ATOM 1369 N ASN A 89 -10.415 -1.031 4.165 1.00 0.00 N ATOM 1370 CA ASN A 89 -11.160 0.131 3.693 1.00 0.00 C ATOM 1371 C ASN A 89 -10.441 0.801 2.526 1.00 0.00 C ATOM 1372 O ASN A 89 -9.253 0.569 2.300 1.00 0.00 O ATOM 1373 CB ASN A 89 -11.354 1.135 4.831 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.224 2.143 4.912 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -10.446 3.350 4.812 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.004 1.651 5.093 1.00 0.00 N ATOM 0 H ASN A 89 -9.595 -0.806 4.728 1.00 0.00 H new ATOM 0 HA ASN A 89 -12.136 -0.210 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.298 1.662 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.427 0.598 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.204 2.281 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.867 0.643 5.171 1.00 0.00 H new ATOM 1383 N SER A 90 -11.169 1.632 1.788 1.00 0.00 N ATOM 1384 CA SER A 90 -10.602 2.334 0.642 1.00 0.00 C ATOM 1385 C SER A 90 -9.802 3.553 1.092 1.00 0.00 C ATOM 1386 O SER A 90 -9.864 3.955 2.255 1.00 0.00 O ATOM 1387 CB SER A 90 -11.711 2.764 -0.320 1.00 0.00 C ATOM 1388 OG SER A 90 -12.550 3.740 0.273 1.00 0.00 O ATOM 0 H SER A 90 -12.153 1.836 1.963 1.00 0.00 H new ATOM 0 HA SER A 90 -9.928 1.650 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.270 3.165 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.304 1.896 -0.607 1.00 0.00 H new ATOM 0 HG SER A 90 -13.250 3.999 -0.362 1.00 0.00 H new ATOM 1394 N LEU A 91 -9.053 4.136 0.164 1.00 0.00 N ATOM 1395 CA LEU A 91 -8.240 5.310 0.464 1.00 0.00 C ATOM 1396 C LEU A 91 -9.073 6.585 0.378 1.00 0.00 C ATOM 1397 O LEU A 91 -9.094 7.388 1.311 1.00 0.00 O ATOM 1398 CB LEU A 91 -7.056 5.395 -0.502 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.934 4.381 -0.278 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.273 4.016 -1.598 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.906 4.930 0.701 1.00 0.00 C ATOM 0 H LEU A 91 -8.991 3.816 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.864 5.211 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.432 5.273 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.631 6.397 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.368 3.477 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.477 3.293 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.014 3.580 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.853 4.912 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.115 4.195 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.477 5.849 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.389 5.140 1.656 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.759 6.764 -0.746 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.597 7.939 -0.951 1.00 0.00 C ATOM 1415 C ALA A 92 -11.356 8.301 0.321 1.00 0.00 C ATOM 1416 O ALA A 92 -11.401 9.465 0.718 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.568 7.700 -2.098 1.00 0.00 C ATOM 0 H ALA A 92 -9.751 6.110 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.949 8.777 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.188 8.585 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.009 7.498 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.204 6.846 -1.865 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.950 7.297 0.956 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.710 7.510 2.182 1.00 0.00 C ATOM 1425 C TYR A 93 -11.986 8.481 3.109 1.00 0.00 C ATOM 1426 O TYR A 93 -12.601 9.370 3.699 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.944 6.180 2.900 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.625 6.328 4.242 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.890 6.602 5.389 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -15.002 6.193 4.363 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.507 6.737 6.617 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.628 6.329 5.587 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.876 6.600 6.711 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.496 6.734 7.933 1.00 0.00 O ATOM 0 H TYR A 93 -11.920 6.327 0.642 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.673 7.943 1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.550 5.535 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.986 5.680 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.818 6.711 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.593 5.978 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.921 6.949 7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.700 6.224 5.663 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.462 6.609 7.825 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.675 8.305 3.232 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.865 9.164 4.088 1.00 0.00 C ATOM 1446 C TYR A 94 -9.687 10.544 3.463 1.00 0.00 C ATOM 1447 O TYR A 94 -9.664 11.556 4.162 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.499 8.525 4.340 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.552 7.323 5.256 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.137 7.407 6.513 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.016 6.102 4.863 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.187 6.312 7.352 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.063 5.001 5.695 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.649 5.111 6.939 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.698 4.017 7.772 1.00 0.00 O ATOM 0 H TYR A 94 -10.150 7.575 2.750 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.385 9.281 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.066 8.225 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.832 9.271 4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.560 8.345 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.555 6.013 3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.645 6.395 8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.643 4.059 5.374 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.502 3.206 7.258 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.561 10.576 2.140 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.385 11.831 1.419 1.00 0.00 C ATOM 1467 C ASN A 95 -7.978 12.384 1.625 1.00 0.00 C ATOM 1468 O ASN A 95 -7.802 13.561 1.939 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.421 12.858 1.880 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.699 12.209 2.374 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.931 12.105 3.578 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.536 11.768 1.442 1.00 0.00 N ATOM 0 H ASN A 95 -9.578 9.747 1.546 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.527 11.634 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.995 13.467 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.654 13.531 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.412 11.322 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.303 11.875 0.455 1.00 0.00 H new ATOM 1479 N MET A 96 -6.979 11.526 1.446 1.00 0.00 N ATOM 1480 CA MET A 96 -5.587 11.929 1.610 1.00 0.00 C ATOM 1481 C MET A 96 -5.240 13.080 0.671 1.00 0.00 C ATOM 1482 O MET A 96 -6.055 13.484 -0.158 1.00 0.00 O ATOM 1483 CB MET A 96 -4.656 10.743 1.348 1.00 0.00 C ATOM 1484 CG MET A 96 -4.859 9.586 2.313 1.00 0.00 C ATOM 1485 SD MET A 96 -3.594 8.312 2.146 1.00 0.00 S ATOM 1486 CE MET A 96 -4.090 7.172 3.436 1.00 0.00 C ATOM 0 H MET A 96 -7.107 10.548 1.187 1.00 0.00 H new ATOM 0 HA MET A 96 -5.452 12.268 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.812 10.387 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.622 11.082 1.413 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.854 9.965 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.840 9.143 2.142 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.869 6.151 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.543 7.398 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.160 7.272 3.618 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.026 13.603 0.808 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.571 14.706 -0.030 1.00 0.00 C ATOM 1498 C ALA A 97 -2.165 14.449 -0.561 1.00 0.00 C ATOM 1499 O ALA A 97 -1.338 13.837 0.115 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.612 16.012 0.750 1.00 0.00 C ATOM 0 H ALA A 97 -3.340 13.281 1.491 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.244 14.783 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.270 16.827 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.633 16.210 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.962 15.936 1.622 1.00 0.00 H new ATOM 1506 N SER A 98 -1.902 14.918 -1.776 1.00 0.00 N ATOM 1507 CA SER A 98 -0.597 14.734 -2.400 1.00 0.00 C ATOM 1508 C SER A 98 0.526 15.003 -1.402 1.00 0.00 C ATOM 1509 O SER A 98 0.293 15.540 -0.320 1.00 0.00 O ATOM 1510 CB SER A 98 -0.451 15.660 -3.610 1.00 0.00 C ATOM 1511 OG SER A 98 -1.417 15.357 -4.602 1.00 0.00 O ATOM 0 H SER A 98 -2.575 15.428 -2.348 1.00 0.00 H new ATOM 0 HA SER A 98 -0.524 13.698 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.562 16.697 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.550 15.560 -4.030 1.00 0.00 H new ATOM 0 HG SER A 98 -1.305 15.963 -5.364 1.00 0.00 H new ATOM 1517 N GLY A 99 1.745 14.626 -1.776 1.00 0.00 N ATOM 1518 CA GLY A 99 2.886 14.834 -0.904 1.00 0.00 C ATOM 1519 C GLY A 99 2.639 14.327 0.504 1.00 0.00 C ATOM 1520 O GLY A 99 3.091 14.930 1.476 1.00 0.00 O ATOM 0 H GLY A 99 1.962 14.180 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.756 14.328 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.123 15.897 -0.868 1.00 0.00 H new ATOM 1524 N ALA A 100 1.919 13.215 0.613 1.00 0.00 N ATOM 1525 CA ALA A 100 1.614 12.627 1.911 1.00 0.00 C ATOM 1526 C ALA A 100 2.827 11.901 2.484 1.00 0.00 C ATOM 1527 O ALA A 100 3.851 11.760 1.816 1.00 0.00 O ATOM 1528 CB ALA A 100 0.433 11.674 1.794 1.00 0.00 C ATOM 0 H ALA A 100 1.536 12.704 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 100 1.350 13.434 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.216 11.242 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.440 12.219 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.677 10.877 1.091 1.00 0.00 H new ATOM 1534 N VAL A 101 2.705 11.443 3.726 1.00 0.00 N ATOM 1535 CA VAL A 101 3.791 10.732 4.388 1.00 0.00 C ATOM 1536 C VAL A 101 3.254 9.625 5.290 1.00 0.00 C ATOM 1537 O VAL A 101 2.685 9.895 6.348 1.00 0.00 O ATOM 1538 CB VAL A 101 4.658 11.688 5.229 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.805 12.421 6.253 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.785 10.926 5.909 1.00 0.00 C ATOM 0 H VAL A 101 1.865 11.552 4.294 1.00 0.00 H new ATOM 0 HA VAL A 101 4.406 10.292 3.603 1.00 0.00 H new ATOM 0 HB VAL A 101 5.101 12.429 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.435 13.092 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.037 13.000 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.331 11.698 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.387 11.617 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.365 10.162 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.412 10.452 5.153 1.00 0.00 H new ATOM 1550 N ILE A 102 3.440 8.381 4.864 1.00 0.00 N ATOM 1551 CA ILE A 102 2.975 7.233 5.633 1.00 0.00 C ATOM 1552 C ILE A 102 4.067 6.718 6.565 1.00 0.00 C ATOM 1553 O ILE A 102 5.007 6.052 6.129 1.00 0.00 O ATOM 1554 CB ILE A 102 2.518 6.086 4.713 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.386 6.558 3.798 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.073 4.889 5.540 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.216 7.159 4.544 1.00 0.00 C ATOM 0 H ILE A 102 3.909 8.142 3.991 1.00 0.00 H new ATOM 0 HA ILE A 102 2.125 7.573 6.225 1.00 0.00 H new ATOM 0 HB ILE A 102 3.360 5.781 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.779 7.297 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.033 5.714 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.753 4.086 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.904 4.542 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.243 5.180 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.548 7.471 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.203 6.416 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.554 8.023 5.116 1.00 0.00 H new ATOM 1569 N HIS A 103 3.936 7.029 7.851 1.00 0.00 N ATOM 1570 CA HIS A 103 4.910 6.595 8.846 1.00 0.00 C ATOM 1571 C HIS A 103 4.764 5.104 9.135 1.00 0.00 C ATOM 1572 O HIS A 103 3.670 4.623 9.435 1.00 0.00 O ATOM 1573 CB HIS A 103 4.743 7.396 10.137 1.00 0.00 C ATOM 1574 CG HIS A 103 4.915 8.872 9.953 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.149 9.480 9.858 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.999 9.863 9.844 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.985 10.782 9.700 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.689 11.040 9.688 1.00 0.00 N ATOM 0 H HIS A 103 3.165 7.580 8.228 1.00 0.00 H new ATOM 0 HA HIS A 103 5.907 6.773 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.753 7.203 10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.468 7.043 10.870 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.925 9.749 9.874 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.775 11.511 9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.269 11.963 9.580 1.00 0.00 H new ATOM 1587 N LEU A 104 5.872 4.377 9.043 1.00 0.00 N ATOM 1588 CA LEU A 104 5.868 2.940 9.295 1.00 0.00 C ATOM 1589 C LEU A 104 6.197 2.642 10.754 1.00 0.00 C ATOM 1590 O LEU A 104 7.073 3.273 11.344 1.00 0.00 O ATOM 1591 CB LEU A 104 6.873 2.239 8.379 1.00 0.00 C ATOM 1592 CG LEU A 104 6.838 0.711 8.390 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.537 0.201 7.790 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.033 0.145 7.637 1.00 0.00 C ATOM 0 H LEU A 104 6.785 4.759 8.796 1.00 0.00 H new ATOM 0 HA LEU A 104 4.868 2.561 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.702 2.579 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.876 2.562 8.659 1.00 0.00 H new ATOM 0 HG LEU A 104 6.893 0.373 9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.531 -0.889 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.696 0.577 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.450 0.548 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.992 -0.944 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.010 0.492 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.955 0.481 8.112 1.00 0.00 H new ATOM 1606 N ALA A 105 5.491 1.674 11.328 1.00 0.00 N ATOM 1607 CA ALA A 105 5.712 1.288 12.717 1.00 0.00 C ATOM 1608 C ALA A 105 5.293 -0.158 12.958 1.00 0.00 C ATOM 1609 O ALA A 105 4.348 -0.652 12.342 1.00 0.00 O ATOM 1610 CB ALA A 105 4.955 2.222 13.650 1.00 0.00 C ATOM 0 H ALA A 105 4.761 1.142 10.853 1.00 0.00 H new ATOM 0 HA ALA A 105 6.779 1.369 12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.128 1.923 14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.305 3.244 13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.889 2.169 13.431 1.00 0.00 H new ATOM 1616 N LEU A 106 6.001 -0.832 13.857 1.00 0.00 N ATOM 1617 CA LEU A 106 5.703 -2.223 14.180 1.00 0.00 C ATOM 1618 C LEU A 106 4.502 -2.320 15.115 1.00 0.00 C ATOM 1619 O LEU A 106 4.476 -1.697 16.177 1.00 0.00 O ATOM 1620 CB LEU A 106 6.920 -2.890 14.824 1.00 0.00 C ATOM 1621 CG LEU A 106 7.883 -3.596 13.869 1.00 0.00 C ATOM 1622 CD1 LEU A 106 9.126 -4.061 14.611 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.194 -4.770 13.189 1.00 0.00 C ATOM 0 H LEU A 106 6.786 -0.438 14.376 1.00 0.00 H new ATOM 0 HA LEU A 106 5.461 -2.741 13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.477 -2.131 15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.566 -3.617 15.555 1.00 0.00 H new ATOM 0 HG LEU A 106 8.189 -2.886 13.101 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.799 -4.561 13.915 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.631 -3.200 15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.840 -4.755 15.401 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.894 -5.261 12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.859 -5.482 13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.335 -4.410 12.623 1.00 0.00 H new ATOM 1635 N LYS A 107 3.509 -3.106 14.714 1.00 0.00 N ATOM 1636 CA LYS A 107 2.305 -3.288 15.516 1.00 0.00 C ATOM 1637 C LYS A 107 2.586 -4.174 16.726 1.00 0.00 C ATOM 1638 O LYS A 107 3.431 -5.066 16.669 1.00 0.00 O ATOM 1639 CB LYS A 107 1.190 -3.904 14.667 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.184 -3.814 15.309 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.478 -5.031 16.171 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.522 -4.722 17.233 1.00 0.00 C ATOM 1643 NZ LYS A 107 -2.905 -4.968 16.739 1.00 0.00 N ATOM 0 H LYS A 107 3.514 -3.628 13.838 1.00 0.00 H new ATOM 0 HA LYS A 107 1.984 -2.309 15.871 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.163 -3.403 13.699 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.425 -4.951 14.478 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.243 -2.912 15.919 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.944 -3.725 14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.829 -5.848 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.441 -5.370 16.650 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.336 -5.336 18.114 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.427 -3.682 17.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.587 -4.746 17.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.091 -4.364 15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.004 -5.967 16.466 1.00 0.00 H new ATOM 1657 N GLU A 108 1.871 -3.922 17.817 1.00 0.00 N ATOM 1658 CA GLU A 108 2.044 -4.698 19.040 1.00 0.00 C ATOM 1659 C GLU A 108 0.694 -5.030 19.669 1.00 0.00 C ATOM 1660 O GLU A 108 -0.114 -4.140 19.935 1.00 0.00 O ATOM 1661 CB GLU A 108 2.911 -3.929 20.039 1.00 0.00 C ATOM 1662 CG GLU A 108 4.293 -3.587 19.509 1.00 0.00 C ATOM 1663 CD GLU A 108 5.213 -3.044 20.586 1.00 0.00 C ATOM 1664 OE1 GLU A 108 4.776 -2.153 21.344 1.00 0.00 O ATOM 1665 OE2 GLU A 108 6.368 -3.510 20.670 1.00 0.00 O ATOM 0 H GLU A 108 1.167 -3.187 17.880 1.00 0.00 H new ATOM 0 HA GLU A 108 2.543 -5.632 18.781 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.400 -3.007 20.317 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.016 -4.522 20.948 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.740 -4.479 19.070 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.200 -2.851 18.711 1.00 0.00 H new ATOM 1672 N ARG A 109 0.458 -6.316 19.905 1.00 0.00 N ATOM 1673 CA ARG A 109 -0.793 -6.766 20.502 1.00 0.00 C ATOM 1674 C ARG A 109 -0.749 -6.635 22.021 1.00 0.00 C ATOM 1675 O ARG A 109 -1.552 -5.916 22.616 1.00 0.00 O ATOM 1676 CB ARG A 109 -1.075 -8.219 20.113 1.00 0.00 C ATOM 1677 CG ARG A 109 -1.884 -8.361 18.834 1.00 0.00 C ATOM 1678 CD ARG A 109 -2.040 -9.820 18.432 1.00 0.00 C ATOM 1679 NE ARG A 109 -3.232 -10.425 19.019 1.00 0.00 N ATOM 1680 CZ ARG A 109 -3.374 -11.731 19.214 1.00 0.00 C ATOM 1681 NH1 ARG A 109 -2.402 -12.565 18.870 1.00 0.00 N ATOM 1682 NH2 ARG A 109 -4.489 -12.206 19.753 1.00 0.00 N ATOM 0 H ARG A 109 1.117 -7.065 19.692 1.00 0.00 H new ATOM 0 HA ARG A 109 -1.595 -6.133 20.123 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.128 -8.745 19.994 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.610 -8.707 20.928 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.868 -7.914 18.973 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.395 -7.811 18.030 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.094 -9.893 17.346 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.158 -10.379 18.746 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.998 -9.811 19.295 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.543 -12.204 18.455 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.513 -13.568 19.021 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.239 -11.568 20.018 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.596 -13.209 19.902 1.00 0.00 H new ATOM 1696 N SER A 110 0.194 -7.335 22.644 1.00 0.00 N ATOM 1697 CA SER A 110 0.340 -7.300 24.094 1.00 0.00 C ATOM 1698 C SER A 110 1.504 -6.402 24.502 1.00 0.00 C ATOM 1699 O SER A 110 1.370 -5.556 25.385 1.00 0.00 O ATOM 1700 CB SER A 110 0.555 -8.713 24.640 1.00 0.00 C ATOM 1701 OG SER A 110 0.224 -8.784 26.017 1.00 0.00 O ATOM 0 H SER A 110 0.868 -7.933 22.167 1.00 0.00 H new ATOM 0 HA SER A 110 -0.577 -6.890 24.517 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.056 -9.420 24.079 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.595 -9.007 24.497 1.00 0.00 H new ATOM 0 HG SER A 110 0.368 -9.697 26.341 1.00 0.00 H new ATOM 1707 N GLY A 111 2.647 -6.593 23.850 1.00 0.00 N ATOM 1708 CA GLY A 111 3.819 -5.794 24.158 1.00 0.00 C ATOM 1709 C GLY A 111 5.111 -6.565 23.971 1.00 0.00 C ATOM 1710 O GLY A 111 5.902 -6.283 23.070 1.00 0.00 O ATOM 0 H GLY A 111 2.782 -7.286 23.114 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.831 -4.911 23.520 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.755 -5.442 25.188 1.00 0.00 H new ATOM 1714 N PRO A 112 5.341 -7.562 24.838 1.00 0.00 N ATOM 1715 CA PRO A 112 6.546 -8.394 24.785 1.00 0.00 C ATOM 1716 C PRO A 112 6.561 -9.316 23.570 1.00 0.00 C ATOM 1717 O PRO A 112 5.981 -10.401 23.595 1.00 0.00 O ATOM 1718 CB PRO A 112 6.469 -9.213 26.076 1.00 0.00 C ATOM 1719 CG PRO A 112 5.017 -9.260 26.408 1.00 0.00 C ATOM 1720 CD PRO A 112 4.442 -7.953 25.936 1.00 0.00 C ATOM 0 HA PRO A 112 7.452 -7.794 24.698 1.00 0.00 H new ATOM 0 HB2 PRO A 112 6.875 -10.214 25.935 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.043 -8.746 26.876 1.00 0.00 H new ATOM 0 HG2 PRO A 112 4.531 -10.101 25.914 1.00 0.00 H new ATOM 0 HG3 PRO A 112 4.866 -9.389 27.480 1.00 0.00 H new ATOM 0 HD2 PRO A 112 3.414 -8.067 25.592 1.00 0.00 H new ATOM 0 HD3 PRO A 112 4.431 -7.208 26.731 1.00 0.00 H new ATOM 1728 N SER A 113 7.230 -8.877 22.509 1.00 0.00 N ATOM 1729 CA SER A 113 7.318 -9.662 21.283 1.00 0.00 C ATOM 1730 C SER A 113 7.948 -11.024 21.554 1.00 0.00 C ATOM 1731 O SER A 113 7.401 -12.060 21.177 1.00 0.00 O ATOM 1732 CB SER A 113 8.133 -8.910 20.228 1.00 0.00 C ATOM 1733 OG SER A 113 9.442 -8.636 20.696 1.00 0.00 O ATOM 0 H SER A 113 7.719 -7.982 22.473 1.00 0.00 H new ATOM 0 HA SER A 113 6.307 -9.818 20.907 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.186 -9.502 19.315 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.631 -7.976 19.974 1.00 0.00 H new ATOM 0 HG SER A 113 9.943 -8.157 20.004 1.00 0.00 H new ATOM 1739 N SER A 114 9.104 -11.014 22.210 1.00 0.00 N ATOM 1740 CA SER A 114 9.813 -12.248 22.529 1.00 0.00 C ATOM 1741 C SER A 114 9.915 -13.148 21.302 1.00 0.00 C ATOM 1742 O SER A 114 9.726 -14.361 21.390 1.00 0.00 O ATOM 1743 CB SER A 114 9.103 -12.990 23.663 1.00 0.00 C ATOM 1744 OG SER A 114 9.386 -12.397 24.918 1.00 0.00 O ATOM 0 H SER A 114 9.570 -10.165 22.531 1.00 0.00 H new ATOM 0 HA SER A 114 10.821 -11.987 22.851 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.027 -12.983 23.489 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.418 -14.034 23.672 1.00 0.00 H new ATOM 0 HG SER A 114 8.919 -12.889 25.625 1.00 0.00 H new ATOM 1750 N GLY A 115 10.217 -12.545 20.156 1.00 0.00 N ATOM 1751 CA GLY A 115 10.340 -13.306 18.926 1.00 0.00 C ATOM 1752 C GLY A 115 8.998 -13.769 18.395 1.00 0.00 C ATOM 1753 O GLY A 115 8.923 -14.386 17.333 1.00 0.00 O ATOM 0 H GLY A 115 10.379 -11.543 20.057 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.834 -12.694 18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.977 -14.173 19.101 1.00 0.00 H new TER 1757 GLY A 115